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

C113H81BrN4 — CID 159608625

IUPAC2-(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
SMILESBrc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.C.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc23)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C56H38N2.C32H21Br.C24H18N2.CH4/c1-4-16-40(17-5-1)55-49-24-10-11-25-50(49)56(41-18-6-2-7-19-41)52-38-42(30-37-51(52)55)39-28-31-44(32-29-39)57(43-20-8-3-9-21-43)45-33-35-46(36-34-45)58-53-26-14-12-22-47(53)48-23-13-15-27-54(48)58;33-26-18-15-22(16-19-26)25-17-20-29-30(21-25)32(24-11-5-2-6-12-24)28-14-8-7-13-27(28)31(29)23-9-3-1-4-10-23;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;1H4
InChIKeyMMJXEQDXRSQPDA-UHFFFAOYSA-N
MW1574.82 g/mol
LogP32.48
Rot. Bonds13

About 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

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 (PubChem CID 159608625) has the molecular formula C113H81BrN4 and a molecular weight of 1574.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159608625
Molecular FormulaC113H81BrN4
Molecular Weight1574.82 g/mol
Exact Mass1572.56
IUPAC Name2-(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
SMILESBrc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.C.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc23)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C56H38N2.C32H21Br.C24H18N2.CH4/c1-4-16-40(17-5-1)55-49-24-10-11-25-50(49)56(41-18-6-2-7-19-41)52-38-42(30-37-51(52)55)39-28-31-44(32-29-39)57(43-20-8-3-9-21-43)45-33-35-46(36-34-45)58-53-26-14-12-22-47(53)48-23-13-15-27-54(48)58;33-26-18-15-22(16-19-26)25-17-20-29-30(21-25)32(24-11-5-2-6-12-24)28-14-8-7-13-27(28)31(29)23-9-3-1-4-10-23;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;1H4
InChIKeyMMJXEQDXRSQPDA-UHFFFAOYSA-N
XLogP32.48
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001574.82
LogP ≤ 532.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
CID 161259877
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
CID 146578481
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.C.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc23)cc1.c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MMJXEQDXRSQPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C32H21Br.C24H18N2.CH4/c1-4-16-40(17-5-1)55-49-24-10-11-25-50(49)56(41-18-6-2-7-19-41)52-38-42(30-37-51(52)55)39-28-31-44(32-29-39)57(43-20-8-3-9-21-43)45-33-35-46(36-34-45)58-53-26-14-12-22-47(53)48-23-13-15-27-54(48)58;33-26-18-15-22(16-19-26)25-17-20-29-30(21-25)32(24-11-5-2-6-12-24)28-14-8-7-13-27(28)31(29)23-9-3-1-4-10-23;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;1H4.
What are the key properties of 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?
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 has a molecular weight of 1574.82 g/mol, XLogP of 32.48, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159608625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).