5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

C296H182N22OS5 — CID 161192506

IUPAC5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6oc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)n2)cc1
InChIInChI=1S/C50H31N3O.2C50H31N3S.2C49H30N4S.C48H29N5S/c1-3-13-32(14-4-1)39-30-44(33-15-5-2-6-16-33)51-45(31-39)38-20-12-19-36(28-38)34-17-11-18-35(27-34)37-25-26-47-42(29-37)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-32(14-4-1)44-30-39(31-45(51-44)33-15-5-2-6-16-33)37-20-12-18-35(28-37)34-17-11-19-36(27-34)38-25-26-47-42(29-38)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-32(14-4-1)39-30-44(33-15-5-2-6-16-33)51-45(31-39)38-20-12-19-36(28-38)34-17-11-18-35(27-34)37-25-26-47-42(29-37)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-31(14-4-1)42-30-43(51-48(50-42)32-15-5-2-6-16-32)37-20-12-19-35(28-37)33-17-11-18-34(27-33)36-25-26-45-40(29-36)46-47(54-45)38-21-7-8-22-39(38)49-52-41-23-9-10-24-44(41)53(46)49;1-3-13-31(14-4-1)42-30-43(32-15-5-2-6-16-32)51-48(50-42)37-20-12-19-35(28-37)33-17-11-18-34(27-33)36-25-26-45-40(29-36)46-47(54-45)38-21-7-8-22-39(38)49-52-41-23-9-10-24-44(41)53(46)49;1-3-13-30(14-4-1)45-50-46(31-15-5-2-6-16-31)52-47(51-45)36-20-12-19-34(28-36)32-17-11-18-33(27-32)35-25-26-42-39(29-35)43-44(54-42)37-21-7-8-22-38(37)48-49-40-23-9-10-24-41(40)53(43)48/h3*1-31H;2*1-30H;1-29H
InChIKeyUTXHSQIWQKCFJR-UHFFFAOYSA-N
MW4223.20 g/mol
LogP79.54
Rot. Bonds30

About 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (PubChem CID 161192506) has the molecular formula C296H182N22OS5 and a molecular weight of 4223.20 g/mol. Its IUPAC name is 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
PubChem CID161192506
Molecular FormulaC296H182N22OS5
Molecular Weight4223.20 g/mol
Exact Mass4219.35
IUPAC Name5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6oc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)n2)cc1
InChIInChI=1S/C50H31N3O.2C50H31N3S.2C49H30N4S.C48H29N5S/c1-3-13-32(14-4-1)39-30-44(33-15-5-2-6-16-33)51-45(31-39)38-20-12-19-36(28-38)34-17-11-18-35(27-34)37-25-26-47-42(29-37)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-32(14-4-1)44-30-39(31-45(51-44)33-15-5-2-6-16-33)37-20-12-18-35(28-37)34-17-11-19-36(27-34)38-25-26-47-42(29-38)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-32(14-4-1)39-30-44(33-15-5-2-6-16-33)51-45(31-39)38-20-12-19-36(28-38)34-17-11-18-35(27-34)37-25-26-47-42(29-37)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-31(14-4-1)42-30-43(51-48(50-42)32-15-5-2-6-16-32)37-20-12-19-35(28-37)33-17-11-18-34(27-33)36-25-26-45-40(29-36)46-47(54-45)38-21-7-8-22-39(38)49-52-41-23-9-10-24-44(41)53(46)49;1-3-13-31(14-4-1)42-30-43(32-15-5-2-6-16-32)51-48(50-42)37-20-12-19-35(28-37)33-17-11-18-34(27-33)36-25-26-45-40(29-36)46-47(54-45)38-21-7-8-22-39(38)49-52-41-23-9-10-24-44(41)53(46)49;1-3-13-30(14-4-1)45-50-46(31-15-5-2-6-16-31)52-47(51-45)36-20-12-19-34(28-36)32-17-11-18-33(27-32)35-25-26-42-39(29-35)43-44(54-42)37-21-7-8-22-38(37)48-49-40-23-9-10-24-41(40)53(43)48/h3*1-31H;2*1-30H;1-29H
InChIKeyUTXHSQIWQKCFJR-UHFFFAOYSA-N
XLogP79.54
TPSA245.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004223.20
LogP ≤ 579.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene with MolForge

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Related Compounds

5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939517
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939681
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128031
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128279
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939656
5-(4-dibenzothiophen-4-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128243
5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128241
5-(4-dibenzofuran-2-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-(6-phenylnaphthalen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-triphenylen-2-yl-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 158910295
4-dibenzofuran-2-yl-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158434773
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 158301992
2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 159706293
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159569396

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The IUPAC name of 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (CID 161192506) is 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The canonical SMILES for 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6oc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7c8ccccc8c8nc9ccccc9n8c7c6c5)c4)c3)n2)cc1.
What is the InChIKey of 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The InChIKey is UTXHSQIWQKCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O.2C50H31N3S.2C49H30N4S.C48H29N5S/c1-3-13-32(14-4-1)39-30-44(33-15-5-2-6-16-33)51-45(31-39)38-20-12-19-36(28-38)34-17-11-18-35(27-34)37-25-26-47-42(29-37)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-32(14-4-1)44-30-39(31-45(51-44)33-15-5-2-6-16-33)37-20-12-18-35(28-37)34-17-11-19-36(27-34)38-25-26-47-42(29-38)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-32(14-4-1)39-30-44(33-15-5-2-6-16-33)51-45(31-39)38-20-12-19-36(28-38)34-17-11-18-35(27-34)37-25-26-47-42(29-37)48-49(54-47)40-21-7-8-22-41(40)50-52-43-23-9-10-24-46(43)53(48)50;1-3-13-31(14-4-1)42-30-43(51-48(50-42)32-15-5-2-6-16-32)37-20-12-19-35(28-37)33-17-11-18-34(27-33)36-25-26-45-40(29-36)46-47(54-45)38-21-7-8-22-39(38)49-52-41-23-9-10-24-44(41)53(46)49;1-3-13-31(14-4-1)42-30-43(32-15-5-2-6-16-32)51-48(50-42)37-20-12-19-35(28-37)33-17-11-18-34(27-33)36-25-26-45-40(29-36)46-47(54-45)38-21-7-8-22-39(38)49-52-41-23-9-10-24-44(41)53(46)49;1-3-13-30(14-4-1)45-50-46(31-15-5-2-6-16-31)52-47(51-45)36-20-12-19-34(28-36)32-17-11-18-33(27-32)35-25-26-42-39(29-35)43-44(54-42)37-21-7-8-22-38(37)48-49-40-23-9-10-24-41(40)53(43)48/h3*1-31H;2*1-30H;1-29H.
What are the key properties of 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene has a molecular weight of 4223.20 g/mol, XLogP of 79.54, 30 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 161192506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).