9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole

C36H24N2S — CID 118698975

IUPAC9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
SMILESC1=Cc2c(n(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3ccccc23)CC1
InChIInChI=1S/C36H24N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-7,9-15,17-22H,8,16H2
InChIKeyAFAKSTBOHGEPPX-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.05
Rot. Bonds2

About 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole

9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 118698975) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
PubChem CID118698975
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
SMILESC1=Cc2c(n(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3ccccc23)CC1
InChIInChI=1S/C36H24N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-7,9-15,17-22H,8,16H2
InChIKeyAFAKSTBOHGEPPX-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-dibenzothiophen-2-yl-4-(1,2-dihydrocarbazol-9-yl)carbazole
CID 137468008
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
1-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-6-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 147700149
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
CID 66828059
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312

Frequently Asked Questions

What is the IUPAC name of 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole (CID 118698975) is 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole is C1=Cc2c(n(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3ccccc23)CC1.
What is the InChIKey of 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is AFAKSTBOHGEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-7,9-15,17-22H,8,16H2.
What are the key properties of 9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole?
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-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-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 118698975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).