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

C152H113BBr4IN7O3 — CID 159921809

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

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-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine (PubChem CID 159921809) has the molecular formula C152H113BBr4IN7O3 and a molecular weight of 2542.95 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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine.

Molecular Properties

• Compound Name: 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-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
• PubChem CID: 159921809
• Molecular Formula: C152H113BBr4IN7O3
• Molecular Weight: 2542.95 g/mol
• Exact Mass: 2537.48
• IUPAC Name: 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-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
• SMILES: Brc1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1.Brc1ccccc1-c1ccccc1.Brc1ccccc1I.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c(-c5ccccc5)cccc34)cc2)OC1(C)C.Nc1ccccc1-c1ccccc1-c1ccccc1.O=C(Nc1ccccc1-c1ccccc1-c1ccccc1)c1ccc(Br)cc1.c1ccc(-c2cccc3c(-c4ccc(-c5cccc(-c6ccccn6)n5)cc4)nc4ccccc4c23)cc1
• InChI: InChI=1S/C35H23N3.C31H28BNO2.C25H18BrNO.C25H16BrN.C18H15N.C12H9Br.C6H4BrI/c1-2-10-24(11-3-1)27-13-8-14-29-34(27)28-12-4-5-15-31(28)38-35(29)26-21-19-25(20-22-26)30-17-9-18-33(37-30)32-16-6-7-23-36-32;1-30(2)31(3,4)35-32(34-30)23-19-17-22(18-20-23)29-26-15-10-14-24(21-11-6-5-7-12-21)28(26)25-13-8-9-16-27(25)33-29;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/h1-23H;5-20H,1-4H3;1-17H,(H,27,28);1-16H;1-13H,19H2;1-9H;1-4H
• InChIKey: NYMNGVHBWVFOES-UHFFFAOYSA-N
• XLogP: 42.16
• TPSA: 138.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2542.95
LogP ≤ 5	42.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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'}

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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?

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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine (CID 159921809) is 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-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine.

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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?

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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine is Brc1ccc(-c2nc3ccccc3c3c(-c4ccccc4)cccc23)cc1.Brc1ccccc1-c1ccccc1.Brc1ccccc1I.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c(-c5ccccc5)cccc34)cc2)OC1(C)C.Nc1ccccc1-c1ccccc1-c1ccccc1.O=C(Nc1ccccc1-c1ccccc1-c1ccccc1)c1ccc(Br)cc1.c1ccc(-c2cccc3c(-c4ccc(-c5cccc(-c6ccccn6)n5)cc4)nc4ccccc4c23)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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?

The InChIKey is NYMNGVHBWVFOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3.C31H28BNO2.C25H18BrNO.C25H16BrN.C18H15N.C12H9Br.C6H4BrI/c1-2-10-24(11-3-1)27-13-8-14-29-34(27)28-12-4-5-15-31(28)38-35(29)26-21-19-25(20-22-26)30-17-9-18-33(37-30)32-16-6-7-23-36-32;1-30(2)31(3,4)35-32(34-30)23-19-17-22(18-20-23)29-26-15-10-14-24(21-11-6-5-7-12-21)28(26)25-13-8-9-16-27(25)33-29;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/h1-23H;5-20H,1-4H3;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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?

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-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine has a molecular weight of 2542.95 g/mol, XLogP of 42.16, 16 rotatable bonds, 2 hydrogen bond donors, and 9 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;2-(2-phenylphenyl)aniline;10-phenyl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine is sourced from PubChem (CID 159921809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).