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

C123H88Br4IN4O2P — CID 159707156

IUPAC1-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
SMILESBrc1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1.Brc1ccccc1-c1ccccc1.Brc1ccccc1I.Nc1ccccc1-c1ccccc1-c1ccccc1.O=C(Nc1ccccc1-c1ccccc1-c1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C37H26NOP.C25H18BrNO.C25H16BrN.C18H15N.C12H9Br.C6H4BrI/c39-40(29-15-6-2-7-16-29,30-17-8-3-9-18-30)31-25-23-28(24-26-31)37-34-21-12-20-32(27-13-4-1-5-14-27)36(34)33-19-10-11-22-35(33)38-37;26-20-16-14-19(15-17-20)25(28)27-24-13-7-6-12-23(24)22-11-5-4-10-21(22)18-8-2-1-3-9-18;26-19-15-13-18(14-16-19)25-22-11-6-10-20(17-7-2-1-3-8-17)24(22)21-9-4-5-12-23(21)27-25;19-18-13-7-6-12-17(18)16-11-5-4-10-15(16)14-8-2-1-3-9-14;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8/h1-26H;1-17H,(H,27,28);1-16H;1-13H,19H2;1-9H;1-4H
InChIKeyMYIYJTITTOWHFN-UHFFFAOYSA-N
MW2131.58 g/mol
LogP34.65
Rot. Bonds14

About 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

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 (PubChem CID 159707156) has the molecular formula C123H88Br4IN4O2P and a molecular weight of 2131.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159707156
Molecular FormulaC123H88Br4IN4O2P
Molecular Weight2131.58 g/mol
Exact Mass2126.24
IUPAC Name1-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
SMILESBrc1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1.Brc1ccccc1-c1ccccc1.Brc1ccccc1I.Nc1ccccc1-c1ccccc1-c1ccccc1.O=C(Nc1ccccc1-c1ccccc1-c1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C37H26NOP.C25H18BrNO.C25H16BrN.C18H15N.C12H9Br.C6H4BrI/c39-40(29-15-6-2-7-16-29,30-17-8-3-9-18-30)31-25-23-28(24-26-31)37-34-21-12-20-32(27-13-4-1-5-14-27)36(34)33-19-10-11-22-35(33)38-37;26-20-16-14-19(15-17-20)25(28)27-24-13-7-6-12-23(24)22-11-5-4-10-21(22)18-8-2-1-3-9-18;26-19-15-13-18(14-16-19)25-22-11-6-10-20(17-7-2-1-3-8-17)24(22)21-9-4-5-12-23(21)27-25;19-18-13-7-6-12-17(18)16-11-5-4-10-15(16)14-8-2-1-3-9-14;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8/h1-26H;1-17H,(H,27,28);1-16H;1-13H,19H2;1-9H;1-4H
InChIKeyMYIYJTITTOWHFN-UHFFFAOYSA-N
XLogP34.65
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002131.58
LogP ≤ 534.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[3-[3-[(6-bromoacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10509022
2-(4-bromophenyl)-8-methyl-N-phenylquinoline-4-carboxamide
CID 1738751
2-(4-bromophenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 1741025
N,N'-(methanediyldicyclohexane-4,1-diyl)bis[2-(4-bromophenyl)quinoline-4-carboxamide]
CID 4200955
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
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
4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine
CID 158275885
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
Aniline;6-anilino-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;6-bromo-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
CID 158868187
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-methylbenzene;6,10-dimethylphenanthridine;2-(2-methylphenyl)aniline;N-[2-(2-methylphenyl)phenyl]acetamide
CID 159750657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1.Brc1ccccc1-c1ccccc1.Brc1ccccc1I.Nc1ccccc1-c1ccccc1-c1ccccc1.O=C(Nc1ccccc1-c1ccccc1-c1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 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?
The InChIKey is MYIYJTITTOWHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26NOP.C25H18BrNO.C25H16BrN.C18H15N.C12H9Br.C6H4BrI/c39-40(29-15-6-2-7-16-29,30-17-8-3-9-18-30)31-25-23-28(24-26-31)37-34-21-12-20-32(27-13-4-1-5-14-27)36(34)33-19-10-11-22-35(33)38-37;26-20-16-14-19(15-17-20)25(28)27-24-13-7-6-12-23(24)22-11-5-4-10-21(22)18-8-2-1-3-9-18;26-19-15-13-18(14-16-19)25-22-11-6-10-20(17-7-2-1-3-8-17)24(22)21-9-4-5-12-23(21)27-25;19-18-13-7-6-12-17(18)16-11-5-4-10-15(16)14-8-2-1-3-9-14;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8/h1-26H;1-17H,(H,27,28);1-16H;1-13H,19H2;1-9H;1-4H.
What are the key properties of 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?
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 has a molecular weight of 2131.58 g/mol, XLogP of 34.65, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159707156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).