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

C134H82N6S3 — CID 162243192

IUPAC5-(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
SMILESc1ccc(-n2c3ccc4c(c5ccccc5n4-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3c3ccc4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4cc32)cc1
InChIInChI=1S/2C46H28N2S.C42H26N2S/c1-2-13-29(14-3-1)47-40-22-9-6-17-33(40)38-27-39-34-18-7-10-23-41(34)48(44(39)28-43(38)47)42-26-25-31(30-15-4-5-16-32(30)42)36-20-12-21-37-35-19-8-11-24-45(35)49-46(36)37;1-2-12-31(13-3-1)48-41-28-27-40-43(44(41)38-26-23-29-11-4-5-14-33(29)45(38)48)37-16-6-8-19-39(37)47(40)32-24-21-30(22-25-32)34-17-10-18-36-35-15-7-9-20-42(35)49-46(34)36;1-2-13-28(14-3-1)43-35-21-7-4-17-33(35)40-37(43)24-25-38-41(40)34-18-5-8-22-36(34)44(38)29-15-10-12-27(26-29)30-19-11-20-32-31-16-6-9-23-39(31)45-42(30)32/h2*1-28H;1-26H
InChIKeyZWZDMGVYIILSDL-UHFFFAOYSA-N
MW1872.37 g/mol
LogP38.05
Rot. Bonds9

About 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

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 (PubChem CID 162243192) has the molecular formula C134H82N6S3 and a molecular weight of 1872.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID162243192
Molecular FormulaC134H82N6S3
Molecular Weight1872.37 g/mol
Exact Mass1870.58
IUPAC Name5-(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
SMILESc1ccc(-n2c3ccc4c(c5ccccc5n4-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3c3ccc4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4cc32)cc1
InChIInChI=1S/2C46H28N2S.C42H26N2S/c1-2-13-29(14-3-1)47-40-22-9-6-17-33(40)38-27-39-34-18-7-10-23-41(34)48(44(39)28-43(38)47)42-26-25-31(30-15-4-5-16-32(30)42)36-20-12-21-37-35-19-8-11-24-45(35)49-46(36)37;1-2-12-31(13-3-1)48-41-28-27-40-43(44(41)38-26-23-29-11-4-5-14-33(29)45(38)48)37-16-6-8-19-39(37)47(40)32-24-21-30(22-25-32)34-17-10-18-36-35-15-7-9-20-42(35)49-46(34)36;1-2-13-28(14-3-1)43-35-21-7-4-17-33(35)40-37(43)24-25-38-41(40)34-18-5-8-22-36(34)44(38)29-15-10-12-27(26-29)30-19-11-20-32-31-16-6-9-23-39(31)45-42(30)32/h2*1-28H;1-26H
InChIKeyZWZDMGVYIILSDL-UHFFFAOYSA-N
XLogP38.05
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001872.37
LogP ≤ 538.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
CID 167243659
9-(3-naphthalen-1-ylphenyl)-14-(4-phenylphenyl)-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-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-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-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-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-phenylnaphthalen-1-yl)-14-(4-phenylphenyl)-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 163997723
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
CID 87156414
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
12-phenyl-16-[3-(2-phenylphenyl)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
CID 155465610
3-dibenzothiophen-4-yl-9-(2-phenanthren-9-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(3-phenanthren-9-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole
CID 159539858
5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160706805

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccc4c(c5ccccc5n4-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3c3ccc4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4cc32)cc1.
What is the InChIKey of 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?
The InChIKey is ZWZDMGVYIILSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2S.C42H26N2S/c1-2-13-29(14-3-1)47-40-22-9-6-17-33(40)38-27-39-34-18-7-10-23-41(34)48(44(39)28-43(38)47)42-26-25-31(30-15-4-5-16-32(30)42)36-20-12-21-37-35-19-8-11-24-45(35)49-46(36)37;1-2-12-31(13-3-1)48-41-28-27-40-43(44(41)38-26-23-29-11-4-5-14-33(29)45(38)48)37-16-6-8-19-39(37)47(40)32-24-21-30(22-25-32)34-17-10-18-36-35-15-7-9-20-42(35)49-46(34)36;1-2-13-28(14-3-1)43-35-21-7-4-17-33(35)40-37(43)24-25-38-41(40)34-18-5-8-22-36(34)44(38)29-15-10-12-27(26-29)30-19-11-20-32-31-16-6-9-23-39(31)45-42(30)32/h2*1-28H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 1872.37 g/mol, XLogP of 38.05, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162243192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).