16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene

C162H102N8S2 — CID 161350792

IUPAC16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccc7ccccc7c6n5-c5ccccc5)c43)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/2C46H28N2S.C40H26N2.C30H20N2/c1-2-12-31(13-3-1)48-43-28-42-39(27-40(43)37-26-23-29-11-4-5-14-33(29)45(37)48)35-15-6-8-19-41(35)47(42)32-24-21-30(22-25-32)34-17-10-18-38-36-16-7-9-20-44(36)49-46(34)38;1-2-12-31(13-3-1)48-41-26-23-29-11-4-5-14-33(29)45(41)39-27-38-35-15-6-8-19-40(35)47(42(38)28-43(39)48)32-24-21-30(22-25-32)34-17-10-18-37-36-16-7-9-20-44(36)49-46(34)37;1-3-12-27(13-4-1)29-15-11-18-31(26-29)42-36-21-10-9-20-33(36)34-24-25-37-38(40(34)42)35-23-22-28-14-7-8-19-32(28)39(35)41(37)30-16-5-2-6-17-30;1-3-11-21(12-4-1)31-27-18-10-8-16-25(27)29-28(31)20-19-24-23-15-7-9-17-26(23)32(30(24)29)22-13-5-2-6-14-22/h2*1-28H;1-26H;1-20H
InChIKeyVNWZNVPIQMVGFA-UHFFFAOYSA-N
MW2224.79 g/mol
LogP44.72
Rot. Bonds11

About 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene

16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene (PubChem CID 161350792) has the molecular formula C162H102N8S2 and a molecular weight of 2224.79 g/mol. Its IUPAC name is 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
PubChem CID161350792
Molecular FormulaC162H102N8S2
Molecular Weight2224.79 g/mol
Exact Mass2222.77
IUPAC Name16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccc7ccccc7c6n5-c5ccccc5)c43)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/2C46H28N2S.C40H26N2.C30H20N2/c1-2-12-31(13-3-1)48-43-28-42-39(27-40(43)37-26-23-29-11-4-5-14-33(29)45(37)48)35-15-6-8-19-41(35)47(42)32-24-21-30(22-25-32)34-17-10-18-38-36-16-7-9-20-44(36)49-46(34)38;1-2-12-31(13-3-1)48-41-26-23-29-11-4-5-14-33(29)45(41)39-27-38-35-15-6-8-19-40(35)47(42(38)28-43(39)48)32-24-21-30(22-25-32)34-17-10-18-37-36-16-7-9-20-44(36)49-46(34)37;1-3-12-27(13-4-1)29-15-11-18-31(26-29)42-36-21-10-9-20-33(36)34-24-25-37-38(40(34)42)35-23-22-28-14-7-8-19-32(28)39(35)41(37)30-16-5-2-6-17-30;1-3-11-21(12-4-1)31-27-18-10-8-16-25(27)29-28(31)20-19-24-23-15-7-9-17-26(23)32(30(24)29)22-13-5-2-6-14-22/h2*1-28H;1-26H;1-20H
InChIKeyVNWZNVPIQMVGFA-UHFFFAOYSA-N
XLogP44.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002224.79
LogP ≤ 544.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

5-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-7-phenylindolo[2,3-b]carbazole;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-(3-dibenzothiophen-4-ylphenyl)-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 162243192
9-(4-dibenzothiophen-4-ylphenyl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 126580112
16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline;N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 167617169
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159576095
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole
CID 146532925
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
7-(3-dibenzothiophen-4-ylphenyl)-5,12-diphenylindolo[3,2-a]carbazole;12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 159461030
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940

Frequently Asked Questions

What is the IUPAC name of 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene (CID 161350792) is 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccc7ccccc7c6n5-c5ccccc5)c43)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
The InChIKey is VNWZNVPIQMVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2S.C40H26N2.C30H20N2/c1-2-12-31(13-3-1)48-43-28-42-39(27-40(43)37-26-23-29-11-4-5-14-33(29)45(37)48)35-15-6-8-19-41(35)47(42)32-24-21-30(22-25-32)34-17-10-18-38-36-16-7-9-20-44(36)49-46(34)38;1-2-12-31(13-3-1)48-41-26-23-29-11-4-5-14-33(29)45(41)39-27-38-35-15-6-8-19-40(35)47(42(38)28-43(39)48)32-24-21-30(22-25-32)34-17-10-18-37-36-16-7-9-20-44(36)49-46(34)37;1-3-12-27(13-4-1)29-15-11-18-31(26-29)42-36-21-10-9-20-33(36)34-24-25-37-38(40(34)42)35-23-22-28-14-7-8-19-32(28)39(35)41(37)30-16-5-2-6-17-30;1-3-11-21(12-4-1)31-27-18-10-8-16-25(27)29-28(31)20-19-24-23-15-7-9-17-26(23)32(30(24)29)22-13-5-2-6-14-22/h2*1-28H;1-26H;1-20H.
What are the key properties of 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?
16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene has a molecular weight of 2224.79 g/mol, XLogP of 44.72, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-dibenzothiophen-4-ylphenyl)-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-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 161350792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).