9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole

C51H34N4O — CID 170078785

About 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole

9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 170078785) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 170078785
• Molecular Formula: C51H34N4O
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.27
• IUPAC Name: 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: C1=CC(n2c3ccccc3c3ccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc32)=CCC1
• InChI: InChI=1S/C51H34N4O/c1-3-12-33(13-4-1)36-14-11-15-37(30-36)34-22-24-35(25-23-34)49-52-50(54-51(53-49)39-27-29-44-43-19-8-10-21-47(43)56-48(44)32-39)38-26-28-42-41-18-7-9-20-45(41)55(46(42)31-38)40-16-5-2-6-17-40/h1,3-5,7-32H,2,6H2
• InChIKey: OIOZTJZPXVXLTL-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 170078785) is 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is C1=CC(n2c3ccccc3c3ccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc32)=CCC1.

What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is OIOZTJZPXVXLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-3-12-33(13-4-1)36-14-11-15-37(30-36)34-22-24-35(25-23-34)49-52-50(54-51(53-49)39-27-29-44-43-19-8-10-21-47(43)56-48(44)32-39)38-26-28-42-41-18-7-9-20-45(41)55(46(42)31-38)40-16-5-2-6-17-40/h1,3-5,7-32H,2,6H2.

What are the key properties of 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?

9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 718.86 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170078785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).