7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole

C64H44N4O — CID 163922838

About 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole

7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 163922838) has the molecular formula C64H44N4O and a molecular weight of 885.08 g/mol. Its IUPAC name is 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 163922838
• Molecular Formula: C64H44N4O
• Molecular Weight: 885.08 g/mol
• Exact Mass: 884.35
• IUPAC Name: 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
• SMILES: CC1C=CC(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c(-c5ccccc5)c4)n3)cc2)=CC1
• InChI: InChI=1S/C64H44N4O/c1-41-25-27-43(28-26-41)45-31-35-49(36-32-45)63-65-62(48-33-29-44(30-34-48)42-15-5-2-6-16-42)66-64(67-63)50-37-53(46-17-7-3-8-18-46)61(54(38-50)47-19-9-4-10-20-47)68-57-23-13-11-21-51(57)55-39-56-52-22-12-14-24-59(52)69-60(56)40-58(55)68/h2-25,27-41H,26H2,1H3
• InChIKey: RBXUOHOEBWPAGY-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.08
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole (CID 163922838) is 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole is CC1C=CC(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c(-c5ccccc5)c4)n3)cc2)=CC1.

What is the InChIKey of 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?

The InChIKey is RBXUOHOEBWPAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4O/c1-41-25-27-43(28-26-41)45-31-35-49(36-32-45)63-65-62(48-33-29-44(30-34-48)42-15-5-2-6-16-42)66-64(67-63)50-37-53(46-17-7-3-8-18-46)61(54(38-50)47-19-9-4-10-20-47)68-57-23-13-11-21-51(57)55-39-56-52-22-12-14-24-59(52)69-60(56)40-58(55)68/h2-25,27-41H,26H2,1H3.

What are the key properties of 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?

7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 885.08 g/mol, XLogP of 16.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163922838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).