3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene

C94H61IN12 — CID 161173908

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene (PubChem CID 161173908) has the molecular formula C94H61IN12 and a molecular weight of 1485.51 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene.

Molecular Properties

• Compound Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene
• PubChem CID: 161173908
• Molecular Formula: C94H61IN12
• Molecular Weight: 1485.51 g/mol
• Exact Mass: 1484.42
• IUPAC Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene
• SMILES: Ic1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5ccc6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5ccc6c7[nH]c8ccccc8c7ccc65)ccc43)n2)cc1
• InChI: InChI=1S/C47H30N6.C41H26N6.C6H5I/c1-4-14-31(15-5-1)45-48-46(32-16-6-2-7-17-32)50-47(49-45)53-42-23-13-11-21-36(42)39-30-34(24-26-43(39)53)51-29-28-38-40(51)27-25-37-35-20-10-12-22-41(35)52(44(37)38)33-18-8-3-9-19-33;1-3-11-26(12-4-1)39-43-40(27-13-5-2-6-14-27)45-41(44-39)47-36-18-10-8-16-30(36)33-25-28(19-21-37(33)47)46-24-23-32-35(46)22-20-31-29-15-7-9-17-34(29)42-38(31)32;7-6-4-2-1-3-5-6/h1-30H;1-25,42H;1-5H
• InChIKey: URNWUIHVIRTMKF-UHFFFAOYSA-N
• XLogP: 23.52
• TPSA: 117.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.51
LogP ≤ 5	23.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene?

The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene (CID 161173908) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene.

What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene?

The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene is Ic1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5ccc6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5ccc6c7[nH]c8ccccc8c7ccc65)ccc43)n2)cc1.

What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene?

The InChIKey is URNWUIHVIRTMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N6.C41H26N6.C6H5I/c1-4-14-31(15-5-1)45-48-46(32-16-6-2-7-17-32)50-47(49-45)53-42-23-13-11-21-36(42)39-30-34(24-26-43(39)53)51-29-28-38-40(51)27-25-37-35-20-10-12-22-41(35)52(44(37)38)33-18-8-3-9-19-33;1-3-11-26(12-4-1)39-43-40(27-13-5-2-6-14-27)45-41(44-39)47-36-18-10-8-16-30(36)33-25-28(19-21-37(33)47)46-24-23-32-35(46)22-20-31-29-15-7-9-17-34(29)42-38(31)32;7-6-4-2-1-3-5-6/h1-30H;1-25,42H;1-5H.

What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene?

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene has a molecular weight of 1485.51 g/mol, XLogP of 23.52, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene is sourced from PubChem (CID 161173908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).