1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane

C91H69BBr3IN3O6P — CID 159136045

About 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane

1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane (PubChem CID 159136045) has the molecular formula C91H69BBr3IN3O6P and a molecular weight of 1708.97 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane.

Molecular Properties

• Compound Name: 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane
• PubChem CID: 159136045
• Molecular Formula: C91H69BBr3IN3O6P
• Molecular Weight: 1708.97 g/mol
• Exact Mass: 1705.16
• IUPAC Name: 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane
• SMILES: Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.O=[N+]([O-])c1ccccc1-c1ccccc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2
• InChI: InChI=1S/C24H16BrN.C18H15P.C13H10.C12H8BrI.C12H9NO2.C6H7BO2.C6H4BrNO2/c25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8(9)10/h1-16H;1-15H;1-8H,9H2;1-8H;1-9H;1-5,8-9H;1-4H
• InChIKey: KHMSLVMJNKBJGO-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 131.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1708.97
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane?

The IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane (CID 159136045) is 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane.

What is the SMILES notation for 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane?

The canonical SMILES for 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.O=[N+]([O-])c1ccccc1-c1ccccc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.

What is the InChIKey of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane?

The InChIKey is KHMSLVMJNKBJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN.C18H15P.C13H10.C12H8BrI.C12H9NO2.C6H7BO2.C6H4BrNO2/c25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8(9)10/h1-16H;1-15H;1-8H,9H2;1-8H;1-9H;1-5,8-9H;1-4H.

What are the key properties of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane?

1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane has a molecular weight of 1708.97 g/mol, XLogP of 23.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane is sourced from PubChem (CID 159136045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).