9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline

C65H39N7 — CID 118490628

About 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline

9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline (PubChem CID 118490628) has the molecular formula C65H39N7 and a molecular weight of 918.08 g/mol. Its IUPAC name is 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline
• PubChem CID: 118490628
• Molecular Formula: C65H39N7
• Molecular Weight: 918.08 g/mol
• Exact Mass: 917.33
• IUPAC Name: 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccc8cccnc8c7c6)ccc54)cc4c3ccc3cccnc34)n2)cc1
• InChI: InChI=1S/C65H39N7/c1-3-13-43(14-4-1)63-68-64(44-15-5-2-6-16-44)70-65(69-63)56-39-48(38-55-49(56)30-26-42-18-12-34-67-62(42)55)72-58-22-10-8-20-51(58)54-36-46(28-32-60(54)72)45-27-31-59-53(35-45)50-19-7-9-21-57(50)71(59)47-29-25-40-23-24-41-17-11-33-66-61(41)52(40)37-47/h1-39H
• InChIKey: XQHWFHXWSNASJT-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.08
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline?

The IUPAC name of 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline (CID 118490628) is 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline.

What is the SMILES notation for 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline?

The canonical SMILES for 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccc8cccnc8c7c6)ccc54)cc4c3ccc3cccnc34)n2)cc1.

What is the InChIKey of 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline?

The InChIKey is XQHWFHXWSNASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N7/c1-3-13-43(14-4-1)63-68-64(44-15-5-2-6-16-44)70-65(69-63)56-39-48(38-55-49(56)30-26-42-18-12-34-67-62(42)55)72-58-22-10-8-20-51(58)54-36-46(28-32-60(54)72)45-27-31-59-53(35-45)50-19-7-9-21-57(50)71(59)47-29-25-40-23-24-41-17-11-33-66-61(41)52(40)37-47/h1-39H.

What are the key properties of 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline?

9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline has a molecular weight of 918.08 g/mol, XLogP of 16.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline is sourced from PubChem (CID 118490628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).