9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C242H146N20OS5 — CID 159087557

IUPAC9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8sc9ccccc9c8c7)n6)c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7oc7ccccc78)n6)c5ccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ccc7sc8ccccc8c7c6)n5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)n5)c4ccc32)cc1
InChIInChI=1S/C52H30N4S2.C51H31N5O.C51H31N5S.C47H29N3S.C41H25N3S/c1-2-12-33(13-3-1)55-42-18-8-4-16-36(42)50-44(55)24-25-45-51(50)37-17-5-9-19-43(37)56(45)52-53-40(31-22-26-48-38(28-31)34-14-6-10-20-46(34)57-48)30-41(54-52)32-23-27-49-39(29-32)35-15-7-11-21-47(35)58-49;1-3-15-32(16-4-1)40-31-41(33-17-5-2-6-18-33)54-51(53-40)56-43-26-11-8-21-38(43)49-45(56)30-29-44-48(49)37-20-7-10-25-42(37)55(44)47-28-14-24-39(52-47)36-23-13-22-35-34-19-9-12-27-46(34)57-50(35)36;1-3-14-32(15-4-1)40-31-41(33-16-5-2-6-17-33)54-51(53-40)56-43-23-11-8-20-37(43)50-45(56)28-27-44-49(50)36-19-7-10-22-42(36)55(44)48-25-13-21-39(52-48)34-26-29-47-38(30-34)35-18-9-12-24-46(35)57-47;1-2-13-30(14-3-1)38-22-12-26-44(48-38)50-40-24-8-5-19-37(40)46-42(50)28-27-41-45(46)36-18-4-7-23-39(36)49(41)32-16-10-15-31(29-32)33-20-11-21-35-34-17-6-9-25-43(34)51-47(33)35;1-2-11-27(12-3-1)43-33-17-7-4-14-29(33)40-35(43)22-23-36-41(40)30-15-5-8-18-34(30)44(36)39-20-10-16-32(42-39)26-21-24-38-31(25-26)28-13-6-9-19-37(28)45-38/h1-30H;2*1-31H;1-29H;1-25H
InChIKeyKBQBHFXWKFFLOU-UHFFFAOYSA-N
MW3510.30 g/mol
LogP65.43
Rot. Bonds21

About 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159087557) has the molecular formula C242H146N20OS5 and a molecular weight of 3510.30 g/mol. Its IUPAC name is 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID159087557
Molecular FormulaC242H146N20OS5
Molecular Weight3510.30 g/mol
Exact Mass3507.06
IUPAC Name9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8sc9ccccc9c8c7)n6)c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7oc7ccccc78)n6)c5ccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ccc7sc8ccccc8c7c6)n5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)n5)c4ccc32)cc1
InChIInChI=1S/C52H30N4S2.C51H31N5O.C51H31N5S.C47H29N3S.C41H25N3S/c1-2-12-33(13-3-1)55-42-18-8-4-16-36(42)50-44(55)24-25-45-51(50)37-17-5-9-19-43(37)56(45)52-53-40(31-22-26-48-38(28-31)34-14-6-10-20-46(34)57-48)30-41(54-52)32-23-27-49-39(29-32)35-15-7-11-21-47(35)58-49;1-3-15-32(16-4-1)40-31-41(33-17-5-2-6-18-33)54-51(53-40)56-43-26-11-8-21-38(43)49-45(56)30-29-44-48(49)37-20-7-10-25-42(37)55(44)47-28-14-24-39(52-47)36-23-13-22-35-34-19-9-12-27-46(34)57-50(35)36;1-3-14-32(15-4-1)40-31-41(33-16-5-2-6-17-33)54-51(53-40)56-43-23-11-8-20-37(43)50-45(56)28-27-44-49(50)36-19-7-10-22-42(36)55(44)48-25-13-21-39(52-48)34-26-29-47-38(30-34)35-18-9-12-24-46(35)57-47;1-2-13-30(14-3-1)38-22-12-26-44(48-38)50-40-24-8-5-19-37(40)46-42(50)28-27-41-45(46)36-18-4-7-23-39(36)49(41)32-16-10-15-31(29-32)33-20-11-21-35-34-17-6-9-25-43(34)51-47(33)35;1-2-11-27(12-3-1)43-33-17-7-4-14-29(33)40-35(43)22-23-36-41(40)30-15-5-8-18-34(30)44(36)39-20-10-16-32(42-39)26-21-24-38-31(25-26)28-13-6-9-19-37(28)45-38/h1-30H;2*1-31H;1-29H;1-25H
InChIKeyKBQBHFXWKFFLOU-UHFFFAOYSA-N
XLogP65.43
TPSA191.34 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003510.30
LogP ≤ 565.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159087557) is 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8sc9ccccc9c8c7)n6)c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7oc7ccccc78)n6)c5ccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ccc7sc8ccccc8c7c6)n5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)n5)c4ccc32)cc1.
What is the InChIKey of 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is KBQBHFXWKFFLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S2.C51H31N5O.C51H31N5S.C47H29N3S.C41H25N3S/c1-2-12-33(13-3-1)55-42-18-8-4-16-36(42)50-44(55)24-25-45-51(50)37-17-5-9-19-43(37)56(45)52-53-40(31-22-26-48-38(28-31)34-14-6-10-20-46(34)57-48)30-41(54-52)32-23-27-49-39(29-32)35-15-7-11-21-47(35)58-49;1-3-15-32(16-4-1)40-31-41(33-17-5-2-6-18-33)54-51(53-40)56-43-26-11-8-21-38(43)49-45(56)30-29-44-48(49)37-20-7-10-25-42(37)55(44)47-28-14-24-39(52-47)36-23-13-22-35-34-19-9-12-27-46(34)57-50(35)36;1-3-14-32(15-4-1)40-31-41(33-16-5-2-6-17-33)54-51(53-40)56-43-23-11-8-20-37(43)50-45(56)28-27-44-49(50)36-19-7-10-22-42(36)55(44)48-25-13-21-39(52-48)34-26-29-47-38(30-34)35-18-9-12-24-46(35)57-47;1-2-13-30(14-3-1)38-22-12-26-44(48-38)50-40-24-8-5-19-37(40)46-42(50)28-27-41-45(46)36-18-4-7-23-39(36)49(41)32-16-10-15-31(29-32)33-20-11-21-35-34-17-6-9-25-43(34)51-47(33)35;1-2-11-27(12-3-1)43-33-17-7-4-14-29(33)40-35(43)22-23-36-41(40)30-15-5-8-18-34(30)44(36)39-20-10-16-32(42-39)26-21-24-38-31(25-26)28-13-6-9-19-37(28)45-38/h1-30H;2*1-31H;1-29H;1-25H.
What are the key properties of 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 3510.30 g/mol, XLogP of 65.43, 21 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-dibenzofuran-4-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-dibenzothiophen-4-ylphenyl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(6-dibenzothiophen-2-yl-2-pyridinyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4,6-di(dibenzothiophen-2-yl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159087557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).