3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline

C84H59Br3N4 — CID 161259877

IUPAC3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
SMILESBrc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1.Brc1cc(Br)cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H29BrN2.C24H15Br2N.C18H15N/c43-34-26-33(32-22-25-40-39-18-10-11-19-41(39)45(42(40)28-32)36-16-8-3-9-17-36)27-38(29-34)44(35-14-6-2-7-15-35)37-23-20-31(21-24-37)30-12-4-1-5-13-30;25-18-12-17(13-19(26)15-18)16-10-11-22-21-8-4-5-9-23(21)27(24(22)14-16)20-6-2-1-3-7-20;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-29H;1-15H;1-14,19H
InChIKeyVCKKBTPHVHIYNM-UHFFFAOYSA-N
MW1364.14 g/mol
LogP25.42
Rot. Bonds11

About 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline

3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline (PubChem CID 161259877) has the molecular formula C84H59Br3N4 and a molecular weight of 1364.14 g/mol. Its IUPAC name is 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline.

Molecular Properties

Compound Name3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
PubChem CID161259877
Molecular FormulaC84H59Br3N4
Molecular Weight1364.14 g/mol
Exact Mass1360.23
IUPAC Name3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
SMILESBrc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1.Brc1cc(Br)cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H29BrN2.C24H15Br2N.C18H15N/c43-34-26-33(32-22-25-40-39-18-10-11-19-41(39)45(42(40)28-32)36-16-8-3-9-17-36)27-38(29-34)44(35-14-6-2-7-15-35)37-23-20-31(21-24-37)30-12-4-1-5-13-30;25-18-12-17(13-19(26)15-18)16-10-11-22-21-8-4-5-9-23(21)27(24(22)14-16)20-6-2-1-3-7-20;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-29H;1-15H;1-14,19H
InChIKeyVCKKBTPHVHIYNM-UHFFFAOYSA-N
XLogP25.42
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001364.14
LogP ≤ 525.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(3-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-3-(9,10-diphenylanthracen-2-yl)-N-phenylaniline
CID 159078632
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 129175640
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
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
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline?
The IUPAC name of 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline (CID 161259877) is 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline.
What is the SMILES notation for 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline?
The canonical SMILES for 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline is Brc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1.Brc1cc(Br)cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline?
The InChIKey is VCKKBTPHVHIYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29BrN2.C24H15Br2N.C18H15N/c43-34-26-33(32-22-25-40-39-18-10-11-19-41(39)45(42(40)28-32)36-16-8-3-9-17-36)27-38(29-34)44(35-14-6-2-7-15-35)37-23-20-31(21-24-37)30-12-4-1-5-13-30;25-18-12-17(13-19(26)15-18)16-10-11-22-21-8-4-5-9-23(21)27(24(22)14-16)20-6-2-1-3-7-20;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-29H;1-15H;1-14,19H.
What are the key properties of 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline?
3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline has a molecular weight of 1364.14 g/mol, XLogP of 25.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline is sourced from PubChem (CID 161259877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).