N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine

C48H31BrN2S — CID 126702091

IUPACN-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
SMILESBrc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C48H31BrN2S/c49-35-23-19-34(20-24-35)39-15-7-9-17-43(39)50(36-13-5-2-6-14-36)38-27-28-42-45(31-38)51(37-25-21-33(22-26-37)32-11-3-1-4-12-32)44-30-29-41-40-16-8-10-18-46(40)52-48(41)47(42)44/h1-31H
InChIKeyUPJYDTGCTRUSRO-UHFFFAOYSA-N
MW747.76 g/mol
LogP14.72
Rot. Bonds6

About N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine

N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine (PubChem CID 126702091) has the molecular formula C48H31BrN2S and a molecular weight of 747.76 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
PubChem CID126702091
Molecular FormulaC48H31BrN2S
Molecular Weight747.76 g/mol
Exact Mass746.14
IUPAC NameN-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
SMILESBrc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C48H31BrN2S/c49-35-23-19-34(20-24-35)39-15-7-9-17-43(39)50(36-13-5-2-6-14-36)38-27-28-42-45(31-38)51(37-25-21-33(22-26-37)32-11-3-1-4-12-32)44-30-29-41-40-16-8-10-18-46(40)52-48(41)47(42)44/h1-31H
InChIKeyUPJYDTGCTRUSRO-UHFFFAOYSA-N
XLogP14.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.76
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 126702316
N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169010108
3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 89448363
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 157380480
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g]carbazol-3-amine;N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine;N-(4-dibenzothiophen-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 161478278
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine?
The IUPAC name of N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine (CID 126702091) is N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine?
The canonical SMILES for N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine is Brc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine?
The InChIKey is UPJYDTGCTRUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31BrN2S/c49-35-23-19-34(20-24-35)39-15-7-9-17-43(39)50(36-13-5-2-6-14-36)38-27-28-42-45(31-38)51(37-25-21-33(22-26-37)32-11-3-1-4-12-32)44-30-29-41-40-16-8-10-18-46(40)52-48(41)47(42)44/h1-31H.
What are the key properties of N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine?
N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine has a molecular weight of 747.76 g/mol, XLogP of 14.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine is sourced from PubChem (CID 126702091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).