7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C82H78B3BrN4O6 — CID 158038354

About 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158038354) has the molecular formula C82H78B3BrN4O6 and a molecular weight of 1327.89 g/mol. Its IUPAC name is 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158038354
• Molecular Formula: C82H78B3BrN4O6
• Molecular Weight: 1327.89 g/mol
• Exact Mass: 1326.54
• IUPAC Name: 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccc(-c4ccccc4)cc3)c1n2-c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccc4c(ccn4-c4ccc(-c5ccccc5)cc4)c2n3-c2ccccc2)OC1(C)C
• InChI: InChI=1S/C38H33BN2O2.C32H21BrN2.C12H24B2O4/c1-37(2)38(3,4)43-39(42-37)28-17-21-35-33(25-28)31-20-22-34-32(36(31)41(35)30-13-9-6-10-14-30)23-24-40(34)29-18-15-27(16-19-29)26-11-7-5-8-12-26;33-24-13-17-31-29(21-24)27-16-18-30-28(32(27)35(31)26-9-5-2-6-10-26)19-20-34(30)25-14-11-23(12-15-25)22-7-3-1-4-8-22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-25H,1-4H3;1-21H;1-8H3
• InChIKey: FIAVARXYTVXNID-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 75.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.89
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158038354) is 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccc(-c4ccccc4)cc3)c1n2-c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccc4c(ccn4-c4ccc(-c5ccccc5)cc4)c2n3-c2ccccc2)OC1(C)C.

What is the InChIKey of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FIAVARXYTVXNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33BN2O2.C32H21BrN2.C12H24B2O4/c1-37(2)38(3,4)43-39(42-37)28-17-21-35-33(25-28)31-20-22-34-32(36(31)41(35)30-13-9-6-10-14-30)23-24-40(34)29-18-15-27(16-19-29)26-11-7-5-8-12-26;33-24-13-17-31-29(21-24)27-16-18-30-28(32(27)35(31)26-9-5-2-6-10-26)19-20-34(30)25-14-11-23(12-15-25)22-7-3-1-4-8-22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-25H,1-4H3;1-21H;1-8H3.

What are the key properties of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1327.89 g/mol, XLogP of 20.10, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole;10-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158038354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).