6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine

C37H35BrN2 — CID 135167848

IUPAC6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
SMILESCCCCCCc1ccc(-n2c3ccc(Br)cc3c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C37H35BrN2/c1-3-4-5-7-10-28-15-20-32(21-16-28)40-36-23-17-29(38)25-34(36)35-26-33(22-24-37(35)40)39(30-11-8-6-9-12-30)31-18-13-27(2)14-19-31/h6,8-9,11-26H,3-5,7,10H2,1-2H3
InChIKeyVLZRBJDXVKOFMQ-UHFFFAOYSA-N
MW587.61 g/mol
LogP11.45
Rot. Bonds9

About 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine

6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine (PubChem CID 135167848) has the molecular formula C37H35BrN2 and a molecular weight of 587.61 g/mol. Its IUPAC name is 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine.

Molecular Properties

Compound Name6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
PubChem CID135167848
Molecular FormulaC37H35BrN2
Molecular Weight587.61 g/mol
Exact Mass586.20
IUPAC Name6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
SMILESCCCCCCc1ccc(-n2c3ccc(Br)cc3c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C37H35BrN2/c1-3-4-5-7-10-28-15-20-32(21-16-28)40-36-23-17-29(38)25-34(36)35-26-33(22-24-37(35)40)39(30-11-8-6-9-12-30)31-18-13-27(2)14-19-31/h6,8-9,11-26H,3-5,7,10H2,1-2H3
InChIKeyVLZRBJDXVKOFMQ-UHFFFAOYSA-N
XLogP11.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.61
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-5-[2-[2-[6-(N-(4-bromophenyl)-4-methylanilino)-9-(4-pentylphenyl)carbazol-4-yl]phenyl]phenyl]-N-(4-methylphenyl)-9-(4-pentylphenyl)carbazol-3-amine;N-(4-methylphenyl)-5-[2-[2-[6-[(4-methylphenyl)methyl]-9-(4-pentylphenyl)carbazol-4-yl]phenyl]phenyl]-9-(4-pentylphenyl)carbazol-3-amine
CID 158638482
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
CID 130398280
N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine
CID 158067519
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-bromo-N,N-diphenylaniline;4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N,N-diphenylaniline;3,6-ditert-butyl-9-(4-hexylphenyl)carbazole;3,6-ditert-butyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157305999

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine?
The IUPAC name of 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine (CID 135167848) is 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine.
What is the SMILES notation for 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine?
The canonical SMILES for 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine is CCCCCCc1ccc(-n2c3ccc(Br)cc3c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine?
The InChIKey is VLZRBJDXVKOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35BrN2/c1-3-4-5-7-10-28-15-20-32(21-16-28)40-36-23-17-29(38)25-34(36)35-26-33(22-24-37(35)40)39(30-11-8-6-9-12-30)31-18-13-27(2)14-19-31/h6,8-9,11-26H,3-5,7,10H2,1-2H3.
What are the key properties of 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine?
6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine has a molecular weight of 587.61 g/mol, XLogP of 11.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine is sourced from PubChem (CID 135167848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).