5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole

C81H54N4S — CID 160917580

IUPAC5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c32)cc1
InChIInChI=1S/C42H26N2S.C39H28N2/c1-2-11-28(12-3-1)44-36-18-7-4-13-31(36)33-25-26-38-40(41(33)44)35-15-5-8-19-37(35)43(38)29-23-21-27(22-24-29)30-16-10-17-34-32-14-6-9-20-39(32)45-42(30)34;1-39(2)33-17-9-6-14-27(33)28-21-20-26(22-34(28)39)41-36-19-11-8-16-30(36)32-23-37-31(24-38(32)41)29-15-7-10-18-35(29)40(37)25-12-4-3-5-13-25/h1-26H;3-24H,1-2H3
InChIKeySRPKVUPAPWCBSN-UHFFFAOYSA-N
MW1115.42 g/mol
LogP22.10
Rot. Bonds5

About 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole

5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 160917580) has the molecular formula C81H54N4S and a molecular weight of 1115.42 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
PubChem CID160917580
Molecular FormulaC81H54N4S
Molecular Weight1115.42 g/mol
Exact Mass1114.41
IUPAC Name5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c32)cc1
InChIInChI=1S/C42H26N2S.C39H28N2/c1-2-11-28(12-3-1)44-36-18-7-4-13-31(36)33-25-26-38-40(41(33)44)35-15-5-8-19-37(35)43(38)29-23-21-27(22-24-29)30-16-10-17-34-32-14-6-9-20-39(32)45-42(30)34;1-39(2)33-17-9-6-14-27(33)28-21-20-26(22-34(28)39)41-36-19-11-8-16-30(36)32-23-37-31(24-38(32)41)29-15-7-10-18-35(29)40(37)25-12-4-3-5-13-25/h1-26H;3-24H,1-2H3
InChIKeySRPKVUPAPWCBSN-UHFFFAOYSA-N
XLogP22.10
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.42
LogP ≤ 522.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
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[11.11.0.02,11.03,8.015,23.017,22]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
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
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
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
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenyldibenzothiophen-2-yl)phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 157154828

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole (CID 160917580) is 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c32)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole?
The InChIKey is SRPKVUPAPWCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S.C39H28N2/c1-2-11-28(12-3-1)44-36-18-7-4-13-31(36)33-25-26-38-40(41(33)44)35-15-5-8-19-37(35)43(38)29-23-21-27(22-24-29)30-16-10-17-34-32-14-6-9-20-39(32)45-42(30)34;1-39(2)33-17-9-6-14-27(33)28-21-20-26(22-34(28)39)41-36-19-11-8-16-30(36)32-23-37-31(24-38(32)41)29-15-7-10-18-35(29)40(37)25-12-4-3-5-13-25/h1-26H;3-24H,1-2H3.
What are the key properties of 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole?
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 1115.42 g/mol, XLogP of 22.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 160917580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).