9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C53H34N4 — CID 155087360

About 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 155087360) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 155087360
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc7ccccc7c7ccccc67)c5c4)n3)cc2)cc1
• InChI: InChI=1S/C53H34N4/c1-4-14-35(15-5-1)37-24-26-39(27-25-37)52-54-51(38-18-8-3-9-19-38)55-53(56-52)42-28-30-46-47-32-40(36-16-6-2-7-17-36)29-31-48(47)57(50(46)34-42)49-33-41-20-10-11-21-43(41)44-22-12-13-23-45(44)49/h1-34H
• InChIKey: GKPGWPZUCRDUSC-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.88
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 155087360) is 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc7ccccc7c7ccccc67)c5c4)n3)cc2)cc1.

What is the InChIKey of 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The InChIKey is GKPGWPZUCRDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-14-35(15-5-1)37-24-26-39(27-25-37)52-54-51(38-18-8-3-9-19-38)55-53(56-52)42-28-30-46-47-32-40(36-16-6-2-7-17-36)29-31-48(47)57(50(46)34-42)49-33-41-20-10-11-21-43(41)44-22-12-13-23-45(44)49/h1-34H.

What are the key properties of 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155087360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).