9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

C49H34N2S — CID 118333305

IUPAC9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C49H34N2S/c1-33-15-23-38(24-16-33)50(39-25-21-37(22-26-39)36-19-17-35(18-20-36)34-9-3-2-4-10-34)41-27-29-43-42-11-5-7-13-46(42)51(47(43)32-41)40-28-30-49-45(31-40)44-12-6-8-14-48(44)52-49/h2-32H,1H3
InChIKeyXIKXHROXSZLMNY-UHFFFAOYSA-N
MW682.89 g/mol
LogP14.26
Rot. Bonds6

About 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 118333305) has the molecular formula C49H34N2S and a molecular weight of 682.89 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID118333305
Molecular FormulaC49H34N2S
Molecular Weight682.89 g/mol
Exact Mass682.24
IUPAC Name9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C49H34N2S/c1-33-15-23-38(24-16-33)50(39-25-21-37(22-26-39)36-19-17-35(18-20-36)34-9-3-2-4-10-34)41-27-29-43-42-11-5-7-13-46(42)51(47(43)32-41)40-28-30-49-45(31-40)44-12-6-8-14-48(44)52-49/h2-32H,1H3
InChIKeyXIKXHROXSZLMNY-UHFFFAOYSA-N
XLogP14.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.89
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
N-[4-[9-(8-methyldibenzothiophen-2-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321254
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
9-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)carbazol-2-amine;9-dibenzothiophen-2-yl-N-[4-(2-methylphenyl)phenyl]-N-phenylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine;9-dibenzothiophen-2-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]carbazol-2-amine
CID 157441264
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 118333305) is 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is Cc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is XIKXHROXSZLMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S/c1-33-15-23-38(24-16-33)50(39-25-21-37(22-26-39)36-19-17-35(18-20-36)34-9-3-2-4-10-34)41-27-29-43-42-11-5-7-13-46(42)51(47(43)32-41)40-28-30-49-45(31-40)44-12-6-8-14-48(44)52-49/h2-32H,1H3.
What are the key properties of 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 682.89 g/mol, XLogP of 14.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 118333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).