1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide

C86H60Br2Cl4IN3O — CID 159874954

IUPAC1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide
SMILESBrc1ccccc1I.Clc1cccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)c1.Clc1cccc(-c2ccccc2Br)c1.Nc1ccccc1-c1ccccc1-c1cccc(Cl)c1.O=C(Nc1ccccc1-c1ccccc1-c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c26-20-12-8-11-19(17-20)21-13-4-5-14-22(21)23-15-6-7-16-24(23)27-25(28)18-9-2-1-3-10-18;26-19-11-6-10-18(16-19)20-13-7-14-22-24(20)21-12-4-5-15-23(21)27-25(22)17-8-2-1-3-9-17;19-14-7-5-6-13(12-14)15-8-1-2-9-16(15)17-10-3-4-11-18(17)20;13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9;7-5-3-1-2-4-6(5)8/h1-17H,(H,27,28);1-16H;1-12H,20H2;1-8H;1-4H
InChIKeyNSUANZFZXSEVEC-UHFFFAOYSA-N
MW1579.97 g/mol
LogP27.38
Rot. Bonds9

About 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide

1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide (PubChem CID 159874954) has the molecular formula C86H60Br2Cl4IN3O and a molecular weight of 1579.97 g/mol. Its IUPAC name is 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide
PubChem CID159874954
Molecular FormulaC86H60Br2Cl4IN3O
Molecular Weight1579.97 g/mol
Exact Mass1575.09
IUPAC Name1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide
SMILESBrc1ccccc1I.Clc1cccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)c1.Clc1cccc(-c2ccccc2Br)c1.Nc1ccccc1-c1ccccc1-c1cccc(Cl)c1.O=C(Nc1ccccc1-c1ccccc1-c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c26-20-12-8-11-19(17-20)21-13-4-5-14-22(21)23-15-6-7-16-24(23)27-25(28)18-9-2-1-3-10-18;26-19-11-6-10-18(16-19)20-13-7-14-22-24(20)21-12-4-5-15-23(21)27-25(22)17-8-2-1-3-9-17;19-14-7-5-6-13(12-14)15-8-1-2-9-16(15)17-10-3-4-11-18(17)20;13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9;7-5-3-1-2-4-6(5)8/h1-17H,(H,27,28);1-16H;1-12H,20H2;1-8H;1-4H
InChIKeyNSUANZFZXSEVEC-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'}

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Related Compounds

6'-Bromo-6-chloro-4,4'-diphenyl-1'H-(2,3')biquinolinyl-2'-one
CID 1896453
2-(4-bromophenyl)-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 1957598
2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
CID 2163288
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
6-bromo-N-[2-(3-chlorophenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1746669
2-(4-bromophenyl)-6-chloro-N-(4-chlorophenyl)quinoline-4-carboxamide
CID 60197982
4-bromo-6-chloro-3-propyl-1H-quinolin-2-one;2,4-dibromo-6-chloro-3-propylquinoline
CID 88094761
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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide?
The IUPAC name of 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide (CID 159874954) is 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide?
The canonical SMILES for 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide is Brc1ccccc1I.Clc1cccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)c1.Clc1cccc(-c2ccccc2Br)c1.Nc1ccccc1-c1ccccc1-c1cccc(Cl)c1.O=C(Nc1ccccc1-c1ccccc1-c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide?
The InChIKey is NSUANZFZXSEVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c26-20-12-8-11-19(17-20)21-13-4-5-14-22(21)23-15-6-7-16-24(23)27-25(28)18-9-2-1-3-10-18;26-19-11-6-10-18(16-19)20-13-7-14-22-24(20)21-12-4-5-15-23(21)27-25(22)17-8-2-1-3-9-17;19-14-7-5-6-13(12-14)15-8-1-2-9-16(15)17-10-3-4-11-18(17)20;13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9;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-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide?
1-bromo-2-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-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-(3-chlorophenyl)benzene;1-bromo-2-iodobenzene;2-[2-(3-chlorophenyl)phenyl]aniline;10-(3-chlorophenyl)-6-phenylphenanthridine;N-[2-[2-(3-chlorophenyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 159874954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).