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

C40H25N5O — CID 156661260

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

2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole (PubChem CID 156661260) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
• PubChem CID: 156661260
• Molecular Formula: C40H25N5O
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.21
• IUPAC Name: 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cccc(-c6nc7ccccc7o6)c54)cc3)n2)cc1
• InChI: InChI=1S/C40H25N5O/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)28-22-24-29(25-23-28)45-34-20-9-7-16-30(34)31-17-11-18-32(36(31)45)40-41-33-19-8-10-21-35(33)46-40/h1-25H
• InChIKey: QCWDCFXYSBFOTE-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole (CID 156661260) is 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cccc(-c6nc7ccccc7o6)c54)cc3)n2)cc1.

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

The InChIKey is QCWDCFXYSBFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)28-22-24-29(25-23-28)45-34-20-9-7-16-30(34)31-17-11-18-32(36(31)45)40-41-33-19-8-10-21-35(33)46-40/h1-25H.

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

2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole has a molecular weight of 591.67 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 156661260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).