9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole

C36H24N2S — CID 155027642

IUPAC9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(c3cc(-n4c5ccccc5c5ccccc54)ccc3n2-c2cccc3c2sc2ccccc23)CC1
InChIInChI=1S/C36H24N2S/c1-5-15-30-24(10-1)25-11-2-6-16-31(25)37(30)23-20-21-33-29(22-23)26-12-3-7-17-32(26)38(33)34-18-9-14-28-27-13-4-8-19-35(27)39-36(28)34/h1-2,4-11,13-22H,3,12H2
InChIKeyXPRQXVSAVYUKID-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.05
Rot. Bonds2

About 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole

9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole (PubChem CID 155027642) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
PubChem CID155027642
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(c3cc(-n4c5ccccc5c5ccccc54)ccc3n2-c2cccc3c2sc2ccccc23)CC1
InChIInChI=1S/C36H24N2S/c1-5-15-30-24(10-1)25-11-2-6-16-31(25)37(30)23-20-21-33-29(22-23)26-12-3-7-17-32(26)38(33)34-18-9-14-28-27-13-4-8-19-35(27)39-36(28)34/h1-2,4-11,13-22H,3,12H2
InChIKeyXPRQXVSAVYUKID-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-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
CID 170278418
9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 139397505
10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 139457346
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole
CID 147485381
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole (CID 155027642) is 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole is C1=Cc2c(c3cc(-n4c5ccccc5c5ccccc54)ccc3n2-c2cccc3c2sc2ccccc23)CC1.
What is the InChIKey of 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole?
The InChIKey is XPRQXVSAVYUKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-5-15-30-24(10-1)25-11-2-6-16-31(25)37(30)23-20-21-33-29(22-23)26-12-3-7-17-32(26)38(33)34-18-9-14-28-27-13-4-8-19-35(27)39-36(28)34/h1-2,4-11,13-22H,3,12H2.
What are the key properties of 9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole?
9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-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-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 155027642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).