9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid

C96H70BBrN4O2 — CID 161144938

IUPAC9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.OB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H34N2.C30H24BNO2.C18H12BrN/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50;33-31(34)27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-34H;1-22,33-34H;1-12H
InChIKeyUNXPYGWKSPXNLC-UHFFFAOYSA-N
MW1402.36 g/mol
LogP24.97
Rot. Bonds14

About 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid

9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid (PubChem CID 161144938) has the molecular formula C96H70BBrN4O2 and a molecular weight of 1402.36 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid
PubChem CID161144938
Molecular FormulaC96H70BBrN4O2
Molecular Weight1402.36 g/mol
Exact Mass1400.48
IUPAC Name9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.OB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H34N2.C30H24BNO2.C18H12BrN/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50;33-31(34)27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-34H;1-22,33-34H;1-12H
InChIKeyUNXPYGWKSPXNLC-UHFFFAOYSA-N
XLogP24.97
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.36
LogP ≤ 524.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid with MolForge

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Related Compounds

1-bromo-4-[(E)-2-phenylethenyl]benzene;(4-carbazol-9-ylphenyl)boronic acid;9-[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]carbazole
CID 158856828
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
1-bromo-4-(4-bromophenyl)sulfonylbenzene;9-[4-[4-(4-bromophenyl)sulfonylphenyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid
CID 158167009
N-(4-bromophenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid;uranium
CID 162231058
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid?
The IUPAC name of 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid (CID 161144938) is 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid.
What is the SMILES notation for 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid?
The canonical SMILES for 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.OB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid?
The InChIKey is UNXPYGWKSPXNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2.C30H24BNO2.C18H12BrN/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50;33-31(34)27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-34H;1-22,33-34H;1-12H.
What are the key properties of 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid?
9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid has a molecular weight of 1402.36 g/mol, XLogP of 24.97, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid is sourced from PubChem (CID 161144938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).