7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole

C63H40N4O — CID 163853917

About 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163853917) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 163853917
• Molecular Formula: C63H40N4O
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.32
• IUPAC Name: 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c(oc7cccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c76)c54)c3)cc2)cc1
• InChI: InChI=1S/C63H40N4O/c1-4-14-41(15-5-1)44-26-28-47(29-27-44)50-20-12-21-51(40-50)67-56-24-11-10-22-52(56)53-38-39-54-58-55(23-13-25-57(58)68-60(54)59(53)67)63-65-61(48-34-30-45(31-35-48)42-16-6-2-7-17-42)64-62(66-63)49-36-32-46(33-37-49)43-18-8-3-9-19-43/h1-40H
• InChIKey: VIWMAQCIFIETFV-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 163853917) is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c(oc7cccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c76)c54)c3)cc2)cc1.

What is the InChIKey of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?

The InChIKey is VIWMAQCIFIETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-14-41(15-5-1)44-26-28-47(29-27-44)50-20-12-21-51(40-50)67-56-24-11-10-22-52(56)53-38-39-54-58-55(23-13-25-57(58)68-60(54)59(53)67)63-65-61(48-34-30-45(31-35-48)42-16-6-2-7-17-42)64-62(66-63)49-36-32-46(33-37-49)43-18-8-3-9-19-43/h1-40H.

What are the key properties of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 869.04 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163853917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).