9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole

C75H46IN5O — CID 158637725

About 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole

9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole (PubChem CID 158637725) has the molecular formula C75H46IN5O and a molecular weight of 1160.13 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole.

Molecular Properties

• Compound Name: 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole
• PubChem CID: 158637725
• Molecular Formula: C75H46IN5O
• Molecular Weight: 1160.13 g/mol
• Exact Mass: 1159.27
• IUPAC Name: 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cc(-c4ccccc4)c(I4c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C75H46IN5O/c1-4-20-47(21-5-1)60-42-51(75-78-73(49-24-8-3-9-25-49)77-74(79-75)50-36-39-59-58-30-14-19-35-70(58)82-71(59)44-50)43-61(48-22-6-2-7-23-48)72(60)76-64-40-37-52(80-66-31-15-10-26-54(66)55-27-11-16-32-67(55)80)45-62(64)63-46-53(38-41-65(63)76)81-68-33-17-12-28-56(68)57-29-13-18-34-69(57)81/h1-46H
• InChIKey: HZZBTUXBDOWVBJ-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1160.13
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole?

The IUPAC name of 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole (CID 158637725) is 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole.

What is the SMILES notation for 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole?

The canonical SMILES for 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole is c1ccc(-c2nc(-c3cc(-c4ccccc4)c(I4c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

What is the InChIKey of 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole?

The InChIKey is HZZBTUXBDOWVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46IN5O/c1-4-20-47(21-5-1)60-42-51(75-78-73(49-24-8-3-9-25-49)77-74(79-75)50-36-39-59-58-30-14-19-35-70(58)82-71(59)44-50)43-61(48-22-6-2-7-23-48)72(60)76-64-40-37-52(80-66-31-15-10-26-54(66)55-27-11-16-32-67(55)80)45-62(64)63-46-53(38-41-65(63)76)81-68-33-17-12-28-56(68)57-29-13-18-34-69(57)81/h1-46H.

What are the key properties of 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole?

9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole has a molecular weight of 1160.13 g/mol, XLogP of 19.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole is sourced from PubChem (CID 158637725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).