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

C144H96Br2Cl4IN7O — CID 159381685

IUPAC1-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
SMILESBrc1ccccc1I.Clc1ccc(-c2cccc3c(-c4cccc5ccccc45)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1cccc2ccccc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c(-c7cccc8ccccc78)nc7ccccc7c56)cc4)cc3)n2)cc1
InChIInChI=1S/C50H32N4.C29H20ClNO.C29H18ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c1-3-14-37(15-4-1)48-52-49(38-16-5-2-6-17-38)54-50(53-48)39-31-27-34(28-32-39)33-25-29-36(30-26-33)41-21-12-23-44-46(41)43-20-9-10-24-45(43)51-47(44)42-22-11-18-35-13-7-8-19-40(35)42;30-22-18-16-21(17-19-22)23-10-3-4-12-25(23)26-13-5-6-15-28(26)31-29(32)27-14-7-9-20-8-1-2-11-24(20)27;30-21-17-15-20(16-18-21)23-11-6-13-26-28(23)25-10-3-4-14-27(25)31-29(26)24-12-5-8-19-7-1-2-9-22(19)24;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/h1-32H;1-19H,(H,31,32);1-18H;1-12H,20H2;1-8H;1-4H
InChIKeyLKZKMRYCFAMELR-UHFFFAOYSA-N
MW2368.92 g/mol
LogP42.42
Rot. Bonds15

About 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

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 (PubChem CID 159381685) has the molecular formula C144H96Br2Cl4IN7O and a molecular weight of 2368.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159381685
Molecular FormulaC144H96Br2Cl4IN7O
Molecular Weight2368.92 g/mol
Exact Mass2363.38
IUPAC Name1-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
SMILESBrc1ccccc1I.Clc1ccc(-c2cccc3c(-c4cccc5ccccc45)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1cccc2ccccc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c(-c7cccc8ccccc78)nc7ccccc7c56)cc4)cc3)n2)cc1
InChIInChI=1S/C50H32N4.C29H20ClNO.C29H18ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c1-3-14-37(15-4-1)48-52-49(38-16-5-2-6-17-38)54-50(53-48)39-31-27-34(28-32-39)33-25-29-36(30-26-33)41-21-12-23-44-46(41)43-20-9-10-24-45(43)51-47(44)42-22-11-18-35-13-7-8-19-40(35)42;30-22-18-16-21(17-19-22)23-10-3-4-12-25(23)26-13-5-6-15-28(26)31-29(32)27-14-7-9-20-8-1-2-11-24(20)27;30-21-17-15-20(16-18-21)23-11-6-13-26-28(23)25-10-3-4-14-27(25)31-29(26)24-12-5-8-19-7-1-2-9-22(19)24;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/h1-32H;1-19H,(H,31,32);1-18H;1-12H,20H2;1-8H;1-4H
InChIKeyLKZKMRYCFAMELR-UHFFFAOYSA-N
XLogP42.42
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002368.92
LogP ≤ 542.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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;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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccccc1I.Clc1ccc(-c2cccc3c(-c4cccc5ccccc45)nc4ccccc4c23)cc1.Clc1ccc(-c2ccccc2Br)cc1.Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1.O=C(Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1)c1cccc2ccccc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c(-c7cccc8ccccc78)nc7ccccc7c56)cc4)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is LKZKMRYCFAMELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.C29H20ClNO.C29H18ClN.C18H14ClN.C12H8BrCl.C6H4BrI/c1-3-14-37(15-4-1)48-52-49(38-16-5-2-6-17-38)54-50(53-48)39-31-27-34(28-32-39)33-25-29-36(30-26-33)41-21-12-23-44-46(41)43-20-9-10-24-45(43)51-47(44)42-22-11-18-35-13-7-8-19-40(35)42;30-22-18-16-21(17-19-22)23-10-3-4-12-25(23)26-13-5-6-15-28(26)31-29(32)27-14-7-9-20-8-1-2-11-24(20)27;30-21-17-15-20(16-18-21)23-11-6-13-26-28(23)25-10-3-4-14-27(25)31-29(26)24-12-5-8-19-7-1-2-9-22(19)24;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/h1-32H;1-19H,(H,31,32);1-18H;1-12H,20H2;1-8H;1-4H.
What are the key properties of 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?
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 has a molecular weight of 2368.92 g/mol, XLogP of 42.42, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159381685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).