9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole

C58H37N5 — CID 164843390

About 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole

9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole (PubChem CID 164843390) has the molecular formula C58H37N5 and a molecular weight of 803.97 g/mol. Its IUPAC name is 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
• PubChem CID: 164843390
• Molecular Formula: C58H37N5
• Molecular Weight: 803.97 g/mol
• Exact Mass: 803.30
• IUPAC Name: 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)n2)cc1
• InChI: InChI=1S/C58H37N5/c1-3-13-41(14-4-1)56-60-57(42-27-23-38(24-28-42)39-33-35-59-36-34-39)62-58(61-56)43-29-25-40(26-30-43)54-47-18-7-9-20-49(47)55(50-21-10-8-19-48(50)54)44-31-32-53-51(37-44)46-17-11-12-22-52(46)63(53)45-15-5-2-6-16-45/h1-37H
• InChIKey: UGZSMHUGUWJBJD-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.97
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole?

The IUPAC name of 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole (CID 164843390) is 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)n2)cc1.

What is the InChIKey of 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole?

The InChIKey is UGZSMHUGUWJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5/c1-3-13-41(14-4-1)56-60-57(42-27-23-38(24-28-42)39-33-35-59-36-34-39)62-58(61-56)43-29-25-40(26-30-43)54-47-18-7-9-20-49(47)55(50-21-10-8-19-48(50)54)44-31-32-53-51(37-44)46-17-11-12-22-52(46)63(53)45-15-5-2-6-16-45/h1-37H.

What are the key properties of 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole?

9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole has a molecular weight of 803.97 g/mol, XLogP of 14.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole is sourced from PubChem (CID 164843390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).