2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole

C52H33N5O — CID 156661257

About 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole

2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 156661257) has the molecular formula C52H33N5O and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 156661257
• Molecular Formula: C52H33N5O
• Molecular Weight: 743.87 g/mol
• Exact Mass: 743.27
• IUPAC Name: 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7nc8ccccc8o7)cc65)cc4)n3)c2)cc1
• InChI: InChI=1S/C52H33N5O/c1-4-14-34(15-5-1)39-30-40(35-16-6-2-7-17-35)32-41(31-39)51-55-49(36-18-8-3-9-19-36)54-50(56-51)37-24-27-42(28-25-37)57-46-22-12-10-20-43(46)44-29-26-38(33-47(44)57)52-53-45-21-11-13-23-48(45)58-52/h1-33H
• InChIKey: LUDDSBBNYNNXME-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.87
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole (CID 156661257) is 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7nc8ccccc8o7)cc65)cc4)n3)c2)cc1.

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

The InChIKey is LUDDSBBNYNNXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O/c1-4-14-34(15-5-1)39-30-40(35-16-6-2-7-17-35)32-41(31-39)51-55-49(36-18-8-3-9-19-36)54-50(56-51)37-24-27-42(28-25-37)57-46-22-12-10-20-43(46)44-29-26-38(33-47(44)57)52-53-45-21-11-13-23-48(45)58-52/h1-33H.

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

2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 743.87 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 156661257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).