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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine

C117H88BBr2Cl4IN4O3 — CID 158635137

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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
SMILESBrc1ccccc1I.CC1(C)OB(c2ccc(-c3cccc4c(-c5ccccc5)nc5ccccc5c34)cc2)OC1(C)C.Clc1ccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C31H28BNO2.C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c1-30(2)31(3,4)35-32(34-30)23-19-17-21(18-20-23)24-14-10-15-26-28(24)25-13-8-9-16-27(25)33-29(26)22-11-6-5-7-12-22;26-20-16-14-18(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/h5-20H,1-4H3;1-17H,(H,27,28);1-16H;1-12H,20H2;1-8H;1-4H
InChIKeyHZRHVUYHRUKTHY-UHFFFAOYSA-N
MW2037.35 g/mol
LogP34.40
Rot. Bonds12

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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine

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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine (PubChem CID 158635137) has the molecular formula C117H88BBr2Cl4IN4O3 and a molecular weight of 2037.35 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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine.

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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
PubChem CID158635137
Molecular FormulaC117H88BBr2Cl4IN4O3
Molecular Weight2037.35 g/mol
Exact Mass2032.31
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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
SMILESBrc1ccccc1I.CC1(C)OB(c2ccc(-c3cccc4c(-c5ccccc5)nc5ccccc5c34)cc2)OC1(C)C.Clc1ccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C31H28BNO2.C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c1-30(2)31(3,4)35-32(34-30)23-19-17-21(18-20-23)24-14-10-15-26-28(24)25-13-8-9-16-27(25)33-29(26)22-11-6-5-7-12-22;26-20-16-14-18(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/h5-20H,1-4H3;1-17H,(H,27,28);1-16H;1-12H,20H2;1-8H;1-4H
InChIKeyHZRHVUYHRUKTHY-UHFFFAOYSA-N
XLogP34.40
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002037.35
LogP ≤ 534.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
1-bromo-2-iodobenzene;1-bromo-2-phenylbenzene;6-(4-bromophenyl)-10-phenylphenanthridine;4-bromo-N-[2-(2-phenylphenyl)phenyl]benzamide;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
CID 157572373
3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;(2-phenylphenyl)boronic acid
CID 157769878
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;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenanthridine
CID 157965222
1-bromo-2-iodobenzene;1-bromo-2-phenylbenzene;6-(3-bromophenyl)-10-phenylphenanthridine;3-bromo-N-[2-(2-phenylphenyl)phenyl]benzamide;2-(2-phenylphenyl)aniline;10-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
CID 158147886
1-bromo-2-(4-chlorophenyl)benzene;1-bromo-2-iodobenzene;10-(4-chlorophenyl)-6-naphthalen-1-ylphenanthridine;2-[2-(4-chlorophenyl)phenyl]aniline;N-[2-[2-(4-chlorophenyl)phenyl]phenyl]naphthalene-1-carboxamide;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-1-ylphenanthridine
CID 159381685
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
1-bromo-2-iodobenzene;1-bromo-2-phenylbenzene;6-(4-bromophenyl)-10-phenylphenanthridine;4-bromo-N-[2-(2-phenylphenyl)phenyl]benzamide;6-(4-diphenylphosphorylphenyl)-10-phenylphenanthridine;2-(2-phenylphenyl)aniline
CID 159707156
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
2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 160684435
3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid
CID 161054169
1-bromo-2-iodobenzene;4-bromo-N-[2-(2-naphthalen-1-ylphenyl)phenyl]benzamide;1-(2-bromophenyl)naphthalene;6-(4-bromophenyl)-10-naphthalen-1-ylphenanthridine;2-(2-naphthalen-1-ylphenyl)aniline;10-naphthalen-1-yl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
CID 161304580

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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine (CID 158635137) 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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine.
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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine is Brc1ccccc1I.CC1(C)OB(c2ccc(-c3cccc4c(-c5ccccc5)nc5ccccc5c34)cc2)OC1(C)C.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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
The InChIKey is HZRHVUYHRUKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28BNO2.C25H18ClNO.C25H16ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c1-30(2)31(3,4)35-32(34-30)23-19-17-21(18-20-23)24-14-10-15-26-28(24)25-13-8-9-16-27(25)33-29(26)22-11-6-5-7-12-22;26-20-16-14-18(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/h5-20H,1-4H3;1-17H,(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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine has a molecular weight of 2037.35 g/mol, XLogP of 34.40, 12 rotatable bonds, 2 hydrogen bond donors, and 6 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;6-phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine is sourced from PubChem (CID 158635137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).