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

C53H34N4 — CID 170658641

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

9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170658641) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 170658641
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5cc(-c6ccccc6)ccc5c5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C53H34N4/c1-4-16-35(17-5-1)38-28-30-41-40(32-38)33-47(43-23-11-10-22-42(41)43)53-55-51(37-20-8-3-9-21-37)54-52(56-53)46-31-29-39(36-18-6-2-7-19-36)34-50(46)57-48-26-14-12-24-44(48)45-25-13-15-27-49(45)57/h1-34H
• InChIKey: HSIVQBKXPGECKW-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-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170658641) is 9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5cc(-c6ccccc6)ccc5c5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.

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

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

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

9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]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-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170658641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).