9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline

C72H53BrN4 — CID 158400459

IUPAC9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(Nc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26N2.C18H12BrN.C18H15N/c1-2-8-26(9-3-1)27-14-16-28(17-15-27)29-18-20-30(21-19-29)37-31-22-24-32(25-23-31)38-35-12-6-4-10-33(35)34-11-5-7-13-36(34)38;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-25,37H;1-12H;1-13H,19H2
InChIKeyGYARUOTUJNKOEI-UHFFFAOYSA-N
MW1054.15 g/mol
LogP20.01
Rot. Bonds8

About 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline

9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline (PubChem CID 158400459) has the molecular formula C72H53BrN4 and a molecular weight of 1054.15 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
PubChem CID158400459
Molecular FormulaC72H53BrN4
Molecular Weight1054.15 g/mol
Exact Mass1052.35
IUPAC Name9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(Nc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26N2.C18H12BrN.C18H15N/c1-2-8-26(9-3-1)27-14-16-28(17-15-27)29-18-20-30(21-19-29)37-31-22-24-32(25-23-31)38-35-12-6-4-10-33(35)34-11-5-7-13-36(34)38;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-25,37H;1-12H;1-13H,19H2
InChIKeyGYARUOTUJNKOEI-UHFFFAOYSA-N
XLogP20.01
TPSA47.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.15
LogP ≤ 520.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
1-bromo-4-phenylbenzene;methane;4-phenylaniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 157224558
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
CID 158591993
CID 158591993
2-(4-bromophenyl)naphthalene;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159016137
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
2-(4-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9,10-diphenylanthracen-2-yl)-N-phenylaniline;methane
CID 159608625
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline?
The IUPAC name of 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline (CID 158400459) is 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline.
What is the SMILES notation for 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline?
The canonical SMILES for 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(Nc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline?
The InChIKey is GYARUOTUJNKOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2.C18H12BrN.C18H15N/c1-2-8-26(9-3-1)27-14-16-28(17-15-27)29-18-20-30(21-19-29)37-31-22-24-32(25-23-31)38-35-12-6-4-10-33(35)34-11-5-7-13-36(34)38;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-25,37H;1-12H;1-13H,19H2.
What are the key properties of 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline?
9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline has a molecular weight of 1054.15 g/mol, XLogP of 20.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline is sourced from PubChem (CID 158400459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).