1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide

C86H60Br2Cl4IN3O — CID 157225634

IUPAC1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide
SMILESBrc1ccccc1I.Clc1ccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c26-20-16-14-18(15-17-20)21-10-4-5-11-22(21)23-12-6-7-13-24(23)27-25(28)19-8-2-1-3-9-19;26-19-15-13-17(14-16-19)20-10-6-11-22-24(20)21-9-4-5-12-23(21)27-25(22)18-7-2-1-3-8-18;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/h1-17H,(H,27,28);1-16H;1-12H,20H2;1-8H;1-4H
InChIKeyATMSPFRFGOBUIF-UHFFFAOYSA-N
MW1579.97 g/mol
LogP27.38
Rot. Bonds9

About 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide

1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide (PubChem CID 157225634) has the molecular formula C86H60Br2Cl4IN3O and a molecular weight of 1579.97 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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide
PubChem CID157225634
Molecular FormulaC86H60Br2Cl4IN3O
Molecular Weight1579.97 g/mol
Exact Mass1575.09
IUPAC Name1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide
SMILESBrc1ccccc1I.Clc1ccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c26-20-16-14-18(15-17-20)21-10-4-5-11-22(21)23-12-6-7-13-24(23)27-25(28)19-8-2-1-3-9-19;26-19-15-13-17(14-16-19)20-10-6-11-22-24(20)21-9-4-5-12-23(21)27-25(22)18-7-2-1-3-8-18;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/h1-17H,(H,27,28);1-16H;1-12H,20H2;1-8H;1-4H
InChIKeyATMSPFRFGOBUIF-UHFFFAOYSA-N
XLogP27.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001579.97
LogP ≤ 527.38
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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide 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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide?
The IUPAC name of 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide (CID 157225634) is 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide.
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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide?
The canonical SMILES for 1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide is Brc1ccccc1I.Clc1ccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide?
The InChIKey is ATMSPFRFGOBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c26-20-16-14-18(15-17-20)21-10-4-5-11-22(21)23-12-6-7-13-24(23)27-25(28)19-8-2-1-3-9-19;26-19-15-13-17(14-16-19)20-10-6-11-22-24(20)21-9-4-5-12-23(21)27-25(22)18-7-2-1-3-8-18;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/h1-17H,(H,27,28);1-16H;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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide?
1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(4-chlorophenyl)phenyl]aniline;10-(4-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide has a molecular weight of 1579.97 g/mol, XLogP of 27.38, 9 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-phenylphenanthridine;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 157225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).