1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide

C98H68Br2Cl4IN3O — CID 159619815

IUPAC1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide
SMILESBrc1ccccc1I.Clc1ccc(-c2cccc3c(-c4ccccc4-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C31H22ClNO.C31H20ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c32-24-20-18-23(19-21-24)25-12-4-6-14-27(25)28-15-8-9-17-30(28)33-31(34)29-16-7-5-13-26(29)22-10-2-1-3-11-22;32-23-19-17-22(18-20-23)25-14-8-15-28-30(25)27-13-6-7-16-29(27)33-31(28)26-12-5-4-11-24(26)21-9-2-1-3-10-21;19-14-11-9-13(10-12-14)15-5-1-2-6-16(15)17-7-3-4-8-18(17)20;13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9;7-5-3-1-2-4-6(5)8/h1-21H,(H,33,34);1-20H;1-12H,20H2;1-8H;1-4H
InChIKeyMNTDIOWTHRPQMS-UHFFFAOYSA-N
MW1732.17 g/mol
LogP30.72
Rot. Bonds11

About 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide

1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide (PubChem CID 159619815) has the molecular formula C98H68Br2Cl4IN3O and a molecular weight of 1732.17 g/mol. Its IUPAC name is 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide.

Molecular Properties

Compound Name1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide
PubChem CID159619815
Molecular FormulaC98H68Br2Cl4IN3O
Molecular Weight1732.17 g/mol
Exact Mass1727.15
IUPAC Name1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide
SMILESBrc1ccccc1I.Clc1ccc(-c2cccc3c(-c4ccccc4-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C31H22ClNO.C31H20ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c32-24-20-18-23(19-21-24)25-12-4-6-14-27(25)28-15-8-9-17-30(28)33-31(34)29-16-7-5-13-26(29)22-10-2-1-3-11-22;32-23-19-17-22(18-20-23)25-14-8-15-28-30(25)27-13-6-7-16-29(27)33-31(28)26-12-5-4-11-24(26)21-9-2-1-3-10-21;19-14-11-9-13(10-12-14)15-5-1-2-6-16(15)17-7-3-4-8-18(17)20;13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9;7-5-3-1-2-4-6(5)8/h1-21H,(H,33,34);1-20H;1-12H,20H2;1-8H;1-4H
InChIKeyMNTDIOWTHRPQMS-UHFFFAOYSA-N
XLogP30.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.17
LogP ≤ 530.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide with MolForge

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Related Compounds

N-[5-[(E)-2-(7-chloro-2-quinolyl)vinyl]-2-naphthyl]benzamide
CID 6479607
2-(4-bromophenyl)-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 1957598
N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxamide
CID 2259560
N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4466082
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 4987949
2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
CID 2163288
N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2163467
2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
CID 2163613
N-(2-bromophenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 3562801
2-(3-bromophenyl)-N-(3-chloro-2-methylphenyl)quinoline-4-carboxamide
CID 4431229
N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide
CID 4553123
2-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)quinoline-4-carboxamide
CID 5095300

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide?
The IUPAC name of 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide (CID 159619815) is 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide.
What is the SMILES notation for 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide?
The canonical SMILES for 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide is Brc1ccccc1I.Clc1ccc(-c2cccc3c(-c4ccccc4-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide?
The InChIKey is MNTDIOWTHRPQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClNO.C31H20ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c32-24-20-18-23(19-21-24)25-12-4-6-14-27(25)28-15-8-9-17-30(28)33-31(34)29-16-7-5-13-26(29)22-10-2-1-3-11-22;32-23-19-17-22(18-20-23)25-14-8-15-28-30(25)27-13-6-7-16-29(27)33-31(28)26-12-5-4-11-24(26)21-9-2-1-3-10-21;19-14-11-9-13(10-12-14)15-5-1-2-6-16(15)17-7-3-4-8-18(17)20;13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9;7-5-3-1-2-4-6(5)8/h1-21H,(H,33,34);1-20H;1-12H,20H2;1-8H;1-4H.
What are the key properties of 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide?
1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide has a molecular weight of 1732.17 g/mol, XLogP of 30.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-(2-phenylphenyl)phenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]-2-phenylbenzamide is sourced from PubChem (CID 159619815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).