9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole

C38H29NS — CID 170278377

IUPAC9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole
SMILESCC1=C(c2cccc(-c3ccc4sc5ccccc5c4c3)c2C)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C38H29NS/c1-24-22-27(39-35-15-6-3-10-31(35)32-11-4-7-16-36(32)39)19-20-28(24)30-14-9-13-29(25(30)2)26-18-21-38-34(23-26)33-12-5-8-17-37(33)40-38/h3-18,21-23H,19-20H2,1-2H3
InChIKeyINPGWEXQQDPOPY-UHFFFAOYSA-N
MW531.72 g/mol
LogP11.25
Rot. Bonds3

About 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole

9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 170278377) has the molecular formula C38H29NS and a molecular weight of 531.72 g/mol. Its IUPAC name is 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole
PubChem CID170278377
Molecular FormulaC38H29NS
Molecular Weight531.72 g/mol
Exact Mass531.20
IUPAC Name9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole
SMILESCC1=C(c2cccc(-c3ccc4sc5ccccc5c4c3)c2C)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C38H29NS/c1-24-22-27(39-35-15-6-3-10-31(35)32-11-4-7-16-36(32)39)19-20-28(24)30-14-9-13-29(25(30)2)26-18-21-38-34(23-26)33-12-5-8-17-37(33)40-38/h3-18,21-23H,19-20H2,1-2H3
InChIKeyINPGWEXQQDPOPY-UHFFFAOYSA-N
XLogP11.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.72
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
CID 123602902
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
CID 144619443
CID 144619443
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole (CID 170278377) is 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole is CC1=C(c2cccc(-c3ccc4sc5ccccc5c4c3)c2C)CCC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is INPGWEXQQDPOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29NS/c1-24-22-27(39-35-15-6-3-10-31(35)32-11-4-7-16-36(32)39)19-20-28(24)30-14-9-13-29(25(30)2)26-18-21-38-34(23-26)33-12-5-8-17-37(33)40-38/h3-18,21-23H,19-20H2,1-2H3.
What are the key properties of 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole?
9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 531.72 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 170278377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).