5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C63H42N4O — CID 148730654

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 148730654) has the molecular formula C63H42N4O and a molecular weight of 871.06 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 148730654
• Molecular Formula: C63H42N4O
• Molecular Weight: 871.06 g/mol
• Exact Mass: 870.34
• IUPAC Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=CC(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(-c4ccccc4)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)CC=C1c1ccccc1
• InChI: InChI=1S/C63H42N4O/c1-5-17-41(18-6-1)43-29-33-45(34-30-43)53-39-49(63-65-61(47-21-9-3-10-22-47)64-62(66-63)48-23-11-4-12-24-48)40-54(46-35-31-44(32-36-46)42-19-7-2-8-20-42)59(53)67-55-27-15-13-26-52(55)58-56(67)38-37-51-50-25-14-16-28-57(50)68-60(51)58/h1-35,37-40,46H,36H2
• InChIKey: OAWVSHJLTDVSLK-UHFFFAOYSA-N
• XLogP: 16.33
• 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	871.06
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 148730654) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is C1=CC(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(-c4ccccc4)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)CC=C1c1ccccc1.

What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is OAWVSHJLTDVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O/c1-5-17-41(18-6-1)43-29-33-45(34-30-43)53-39-49(63-65-61(47-21-9-3-10-22-47)64-62(66-63)48-23-11-4-12-24-48)40-54(46-35-31-44(32-36-46)42-19-7-2-8-20-42)59(53)67-55-27-15-13-26-52(55)58-56(67)38-37-51-50-25-14-16-28-57(50)68-60(51)58/h1-35,37-40,46H,36H2.

What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 871.06 g/mol, XLogP of 16.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 148730654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).