9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole

C36H24N2S — CID 134388922

IUPAC9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
SMILESC1=Cc2c(n(-c3cccc4c3sc3c(-n5c6ccccc6c6ccccc65)cccc34)c3ccccc23)CC1
InChIInChI=1S/C36H24N2S/c1-5-17-29-23(11-1)24-12-2-6-18-30(24)37(29)33-21-9-15-27-28-16-10-22-34(36(28)39-35(27)33)38-31-19-7-3-13-25(31)26-14-4-8-20-32(26)38/h1-7,9-19,21-22H,8,20H2
InChIKeySGCBCUXFDBPJFU-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.05
Rot. Bonds2

About 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole

9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole (PubChem CID 134388922) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
PubChem CID134388922
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
SMILESC1=Cc2c(n(-c3cccc4c3sc3c(-n5c6ccccc6c6ccccc65)cccc34)c3ccccc23)CC1
InChIInChI=1S/C36H24N2S/c1-5-17-29-23(11-1)24-12-2-6-18-30(24)37(29)33-21-9-15-27-28-16-10-22-34(36(28)39-35(27)33)38-31-19-7-3-13-25(31)26-14-4-8-20-32(26)38/h1-7,9-19,21-22H,8,20H2
InChIKeySGCBCUXFDBPJFU-UHFFFAOYSA-N
XLogP10.05
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
CID 155748511
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
9-dibenzothiophen-2-yl-4-(1,2-dihydrocarbazol-9-yl)carbazole
CID 137468008
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
CID 66828059
4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile
CID 134217246
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile
CID 146518039

Frequently Asked Questions

What is the IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole (CID 134388922) is 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole is C1=Cc2c(n(-c3cccc4c3sc3c(-n5c6ccccc6c6ccccc65)cccc34)c3ccccc23)CC1.
What is the InChIKey of 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
The InChIKey is SGCBCUXFDBPJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-5-17-29-23(11-1)24-12-2-6-18-30(24)37(29)33-21-9-15-27-28-16-10-22-34(36(28)39-35(27)33)38-31-19-7-3-13-25(31)26-14-4-8-20-32(26)38/h1-7,9-19,21-22H,8,20H2.
What are the key properties of 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole has a molecular weight of 516.67 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 134388922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).