3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline

C38H23N5 — CID 174296762

About 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline

3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline (PubChem CID 174296762) has the molecular formula C38H23N5 and a molecular weight of 549.64 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline.

Molecular Properties

• Compound Name: 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline
• PubChem CID: 174296762
• Molecular Formula: C38H23N5
• Molecular Weight: 549.64 g/mol
• Exact Mass: 549.20
• IUPAC Name: 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline
• SMILES: c1ccc(-c2nc(-c3cnc4c(ccc5ccc6ccccc6c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C38H23N5/c1-2-11-26(12-3-1)36-40-37(42-38(41-36)43-32-16-8-6-14-30(32)31-15-7-9-17-33(31)43)28-22-27-21-20-25-19-18-24-10-4-5-13-29(24)34(25)35(27)39-23-28/h1-23H
• InChIKey: HGKXPDFZORSSNL-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.64
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline?

The IUPAC name of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline (CID 174296762) is 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline.

What is the SMILES notation for 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline?

The canonical SMILES for 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline is c1ccc(-c2nc(-c3cnc4c(ccc5ccc6ccccc6c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline?

The InChIKey is HGKXPDFZORSSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5/c1-2-11-26(12-3-1)36-40-37(42-38(41-36)43-32-16-8-6-14-30(32)31-15-7-9-17-33(31)43)28-22-27-21-20-25-19-18-24-10-4-5-13-29(24)34(25)35(27)39-23-28/h1-23H.

What are the key properties of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline?

3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline has a molecular weight of 549.64 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline is sourced from PubChem (CID 174296762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).