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

C112H77BrN4 — CID 159078632

IUPAC2-(3-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-3-(9,10-diphenylanthracen-2-yl)-N-phenylaniline
SMILESBrc1cccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc23)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C56H38N2.C32H21Br.C24H18N2/c1-4-17-39(18-5-1)55-49-27-10-11-28-50(49)56(40-19-6-2-7-20-40)52-38-42(31-36-51(52)55)41-21-16-24-46(37-41)57(43-22-8-3-9-23-43)44-32-34-45(35-33-44)58-53-29-14-12-25-47(53)48-26-13-15-30-54(48)58;33-26-15-9-14-24(20-26)25-18-19-29-30(21-25)32(23-12-5-2-6-13-23)28-17-8-7-16-27(28)31(29)22-10-3-1-4-11-22;1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-38H;1-21H;1-17,25H
InChIKeyKAONNWSTHRSPSY-UHFFFAOYSA-N
MW1558.78 g/mol
LogP31.84
Rot. Bonds13

About 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

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 (PubChem CID 159078632) has the molecular formula C112H77BrN4 and a molecular weight of 1558.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(3-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-3-(9,10-diphenylanthracen-2-yl)-N-phenylaniline
PubChem CID159078632
Molecular FormulaC112H77BrN4
Molecular Weight1558.78 g/mol
Exact Mass1556.53
IUPAC Name2-(3-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-3-(9,10-diphenylanthracen-2-yl)-N-phenylaniline
SMILESBrc1cccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc23)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C56H38N2.C32H21Br.C24H18N2/c1-4-17-39(18-5-1)55-49-27-10-11-28-50(49)56(40-19-6-2-7-20-40)52-38-42(31-36-51(52)55)41-21-16-24-46(37-41)57(43-22-8-3-9-23-43)44-32-34-45(35-33-44)58-53-29-14-12-25-47(53)48-26-13-15-30-54(48)58;33-26-15-9-14-24(20-26)25-18-19-29-30(21-25)32(23-12-5-2-6-13-23)28-17-8-7-16-27(28)31(29)22-10-3-1-4-11-22;1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-38H;1-21H;1-17,25H
InChIKeyKAONNWSTHRSPSY-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_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-[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
3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
CID 161259877
3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 169065260
3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 149383852
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
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
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc23)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KAONNWSTHRSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C32H21Br.C24H18N2/c1-4-17-39(18-5-1)55-49-27-10-11-28-50(49)56(40-19-6-2-7-20-40)52-38-42(31-36-51(52)55)41-21-16-24-46(37-41)57(43-22-8-3-9-23-43)44-32-34-45(35-33-44)58-53-29-14-12-25-47(53)48-26-13-15-30-54(48)58;33-26-15-9-14-24(20-26)25-18-19-29-30(21-25)32(23-12-5-2-6-13-23)28-17-8-7-16-27(28)31(29)22-10-3-1-4-11-22;1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)26-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-38H;1-21H;1-17,25H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 159078632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).