1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline

C112H77BrN4 — CID 158034274

IUPAC1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccccc2)cc1.c1cc(Nc2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C56H38N2.C44H30N2.C12H9Br/c1-2-14-39(15-3-1)40-28-32-45(33-29-40)57(47-19-13-18-43(37-47)54-38-44-16-4-5-21-49(44)50-22-6-7-23-51(50)54)46-34-30-41(31-35-46)42-17-12-20-48(36-42)58-55-26-10-8-24-52(55)53-25-9-11-27-56(53)58;1-2-16-37-33(11-1)29-42(39-18-4-3-17-38(37)39)32-13-9-14-35(27-32)45-34-25-23-30(24-26-34)31-12-10-15-36(28-31)46-43-21-7-5-19-40(43)41-20-6-8-22-44(41)46;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-38H;1-29,45H;1-9H
InChIKeyFHOARANMFRPWDA-UHFFFAOYSA-N
MW1558.78 g/mol
LogP31.84
Rot. Bonds13

About 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline

1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline (PubChem CID 158034274) has the molecular formula C112H77BrN4 and a molecular weight of 1558.78 g/mol. Its IUPAC name is 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
PubChem CID158034274
Molecular FormulaC112H77BrN4
Molecular Weight1558.78 g/mol
Exact Mass1556.53
IUPAC Name1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccccc2)cc1.c1cc(Nc2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C56H38N2.C44H30N2.C12H9Br/c1-2-14-39(15-3-1)40-28-32-45(33-29-40)57(47-19-13-18-43(37-47)54-38-44-16-4-5-21-49(44)50-22-6-7-23-51(50)54)46-34-30-41(31-35-46)42-17-12-20-48(36-42)58-55-26-10-8-24-52(55)53-25-9-11-27-56(53)58;1-2-16-37-33(11-1)29-42(39-18-4-3-17-38(37)39)32-13-9-14-35(27-32)45-34-25-23-30(24-26-34)31-12-10-15-36(28-31)46-43-21-7-5-19-40(43)41-20-6-8-22-44(41)46;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-38H;1-29,45H;1-9H
InChIKeyFHOARANMFRPWDA-UHFFFAOYSA-N
XLogP31.84
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001558.78
LogP ≤ 531.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159073557
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-(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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N,N-bis(4-phenanthren-9-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195296
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
CID 159139576
N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177098641
4-(6-phenanthren-9-ylnaphthalen-2-yl)-N,N-diphenylaniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158840520
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline (CID 158034274) is 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline is Brc1ccc(-c2ccccc2)cc1.c1cc(Nc2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The InChIKey is FHOARANMFRPWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C44H30N2.C12H9Br/c1-2-14-39(15-3-1)40-28-32-45(33-29-40)57(47-19-13-18-43(37-47)54-38-44-16-4-5-21-49(44)50-22-6-7-23-51(50)54)46-34-30-41(31-35-46)42-17-12-20-48(36-42)58-55-26-10-8-24-52(55)53-25-9-11-27-56(53)58;1-2-16-37-33(11-1)29-42(39-18-4-3-17-38(37)39)32-13-9-14-35(27-32)45-34-25-23-30(24-26-34)31-12-10-15-36(28-31)46-43-21-7-5-19-40(43)41-20-6-8-22-44(41)46;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-38H;1-29,45H;1-9H.
What are the key properties of 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline has a molecular weight of 1558.78 g/mol, XLogP of 31.84, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158034274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).