16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C267H171N21O — CID 159128157

IUPAC16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)nc2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)n2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccc4ccccc4c35)c2)cc1
InChIInChI=1S/C49H31N5.3C45H29N3.C43H27N5.C40H26N2O/c1-4-16-33(17-5-1)47-50-48(34-18-6-2-7-19-34)52-49(51-47)35-20-14-23-37(29-35)54-42-26-13-12-25-39(42)40-30-41-45(31-44(40)54)53(36-21-8-3-9-22-36)43-28-27-32-15-10-11-24-38(32)46(41)43;1-3-14-31(15-4-1)39-22-12-23-40(46-39)32-16-11-19-34(27-32)48-41-24-10-9-21-36(41)37-28-38-44(29-43(37)48)47(33-17-5-2-6-18-33)42-26-25-30-13-7-8-20-35(30)45(38)42;1-3-13-31(14-4-1)39-19-11-20-40(46-39)32-22-25-34(26-23-32)47-41-21-10-9-18-36(41)37-28-38-44(29-43(37)47)48(33-15-5-2-6-16-33)42-27-24-30-12-7-8-17-35(30)45(38)42;1-3-12-30(13-4-1)33-22-24-40(46-29-33)32-15-11-18-35(26-32)48-41-21-10-9-20-37(41)38-27-39-44(28-43(38)48)47(34-16-5-2-6-17-34)42-25-23-31-14-7-8-19-36(31)45(39)42;1-4-15-29(16-5-1)41-44-42(30-17-6-2-7-18-30)46-43(45-41)48-36-23-13-12-22-33(36)34-26-35-39(27-38(34)48)47(31-19-8-3-9-20-31)37-25-24-28-14-10-11-21-32(28)40(35)37;1-3-13-28(14-4-1)41(29-15-5-2-6-16-29)30-17-11-18-31(24-30)42-36-21-10-9-20-33(36)34-25-35-39(26-37(34)42)43-38-23-22-27-12-7-8-19-32(27)40(35)38/h1-31H;3*1-29H;1-27H;1-26H
InChIKeyKGNPKHJKWHIYIG-UHFFFAOYSA-N
MW3689.45 g/mol
LogP69.37
Rot. Bonds25

About 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 159128157) has the molecular formula C267H171N21O and a molecular weight of 3689.45 g/mol. Its IUPAC name is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID159128157
Molecular FormulaC267H171N21O
Molecular Weight3689.45 g/mol
Exact Mass3686.40
IUPAC Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)nc2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)n2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccc4ccccc4c35)c2)cc1
InChIInChI=1S/C49H31N5.3C45H29N3.C43H27N5.C40H26N2O/c1-4-16-33(17-5-1)47-50-48(34-18-6-2-7-19-34)52-49(51-47)35-20-14-23-37(29-35)54-42-26-13-12-25-39(42)40-30-41-45(31-44(40)54)53(36-21-8-3-9-22-36)43-28-27-32-15-10-11-24-38(32)46(41)43;1-3-14-31(15-4-1)39-22-12-23-40(46-39)32-16-11-19-34(27-32)48-41-24-10-9-21-36(41)37-28-38-44(29-43(37)48)47(33-17-5-2-6-18-33)42-26-25-30-13-7-8-20-35(30)45(38)42;1-3-13-31(14-4-1)39-19-11-20-40(46-39)32-22-25-34(26-23-32)47-41-21-10-9-18-36(41)37-28-38-44(29-43(37)47)48(33-15-5-2-6-16-33)42-27-24-30-12-7-8-17-35(30)45(38)42;1-3-12-30(13-4-1)33-22-24-40(46-29-33)32-15-11-18-35(26-32)48-41-21-10-9-20-37(41)38-27-39-44(28-43(38)48)47(34-16-5-2-6-17-34)42-25-23-31-14-7-8-19-36(31)45(39)42;1-4-15-29(16-5-1)41-44-42(30-17-6-2-7-18-30)46-43(45-41)48-36-23-13-12-22-33(36)34-26-35-39(27-38(34)48)47(31-19-8-3-9-20-31)37-25-24-28-14-10-11-21-32(28)40(35)37;1-3-13-28(14-4-1)41(29-15-5-2-6-16-29)30-17-11-18-31(24-30)42-36-21-10-9-20-33(36)34-25-35-39(26-37(34)42)43-38-23-22-27-12-7-8-19-32(27)40(35)38/h1-31H;3*1-29H;1-27H;1-26H
InChIKeyKGNPKHJKWHIYIG-UHFFFAOYSA-N
XLogP69.37
TPSA186.62 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms289
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003689.45
LogP ≤ 569.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 159128157) is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)nc2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)n2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccc4ccccc4c35)c2)cc1.
What is the InChIKey of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is KGNPKHJKWHIYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5.3C45H29N3.C43H27N5.C40H26N2O/c1-4-16-33(17-5-1)47-50-48(34-18-6-2-7-19-34)52-49(51-47)35-20-14-23-37(29-35)54-42-26-13-12-25-39(42)40-30-41-45(31-44(40)54)53(36-21-8-3-9-22-36)43-28-27-32-15-10-11-24-38(32)46(41)43;1-3-14-31(15-4-1)39-22-12-23-40(46-39)32-16-11-19-34(27-32)48-41-24-10-9-21-36(41)37-28-38-44(29-43(37)48)47(33-17-5-2-6-18-33)42-26-25-30-13-7-8-20-35(30)45(38)42;1-3-13-31(14-4-1)39-19-11-20-40(46-39)32-22-25-34(26-23-32)47-41-21-10-9-18-36(41)37-28-38-44(29-43(37)47)48(33-15-5-2-6-16-33)42-27-24-30-12-7-8-17-35(30)45(38)42;1-3-12-30(13-4-1)33-22-24-40(46-29-33)32-15-11-18-35(26-32)48-41-21-10-9-20-37(41)38-27-39-44(28-43(38)48)47(34-16-5-2-6-17-34)42-25-23-31-14-7-8-19-36(31)45(39)42;1-4-15-29(16-5-1)41-44-42(30-17-6-2-7-18-30)46-43(45-41)48-36-23-13-12-22-33(36)34-26-35-39(27-38(34)48)47(31-19-8-3-9-20-31)37-25-24-28-14-10-11-21-32(28)40(35)37;1-3-13-28(14-4-1)41(29-15-5-2-6-16-29)30-17-11-18-31(24-30)42-36-21-10-9-20-33(36)34-25-35-39(26-37(34)42)43-38-23-22-27-12-7-8-19-32(27)40(35)38/h1-31H;3*1-29H;1-27H;1-26H.
What are the key properties of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 3689.45 g/mol, XLogP of 69.37, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N,N-diphenylaniline;12-phenyl-16-[3-(5-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(6-phenyl-2-pyridinyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 159128157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).