bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane

C62H47BrIN3 — CID 160665973

About bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane

bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane (PubChem CID 160665973) has the molecular formula C62H47BrIN3 and a molecular weight of 1040.89 g/mol. Its IUPAC name is bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane.

Molecular Properties

• Compound Name: bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane
• PubChem CID: 160665973
• Molecular Formula: C62H47BrIN3
• Molecular Weight: 1040.89 g/mol
• Exact Mass: 1039.20
• IUPAC Name: bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane
• SMILES: Brc1ccccc1.C.Ic1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13
• InChI: InChI=1S/C30H20N2.C19H13N.C6H5Br.C6H5I.CH4/c1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-20-30-26(19-29(25)31)24-16-8-10-18-28(24)32(30)22-13-5-2-6-14-22;1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;2*7-6-4-2-1-3-5-6;/h1-20H;1-8,10-11,20H,9H2;2*1-5H;1H4
• InChIKey: RMHMWZXPKGWMCB-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 25.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.89
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane?

The IUPAC name of bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane (CID 160665973) is bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane.

What is the SMILES notation for bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane?

The canonical SMILES for bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane is Brc1ccccc1.C.Ic1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.

What is the InChIKey of bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane?

The InChIKey is RMHMWZXPKGWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2.C19H13N.C6H5Br.C6H5I.CH4/c1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-20-30-26(19-29(25)31)24-16-8-10-18-28(24)32(30)22-13-5-2-6-14-22;1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;2*7-6-4-2-1-3-5-6;/h1-20H;1-8,10-11,20H,9H2;2*1-5H;1H4.

What are the key properties of bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane?

bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane has a molecular weight of 1040.89 g/mol, XLogP of 18.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane is sourced from PubChem (CID 160665973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).