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

C63H44N4 — CID 177312540

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

3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177312540) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177312540
• Molecular Formula: C63H44N4
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.36
• IUPAC Name: 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: C1=CC(c2ccccc2)(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)CC(c2cccc(-c3ccccc3)c2)=C1
• InChI: InChI=1S/C63H44N4/c1-6-20-44(21-7-1)47-26-16-27-48(40-47)52-30-19-39-63(43-52,53-31-12-4-13-32-53)62-65-60(46-24-10-3-11-25-46)64-61(66-62)51-29-17-28-50(41-51)55-35-18-36-58-59(55)56-42-49(45-22-8-2-9-23-45)37-38-57(56)67(58)54-33-14-5-15-34-54/h1-42H,43H2
• InChIKey: LKQBUOMTSSQCFI-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177312540) is 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole is C1=CC(c2ccccc2)(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)CC(c2cccc(-c3ccccc3)c2)=C1.

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

The InChIKey is LKQBUOMTSSQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-6-20-44(21-7-1)47-26-16-27-48(40-47)52-30-19-39-63(43-52,53-31-12-4-13-32-53)62-65-60(46-24-10-3-11-25-46)64-61(66-62)51-29-17-28-50(41-51)55-35-18-36-58-59(55)56-42-49(45-22-8-2-9-23-45)37-38-57(56)67(58)54-33-14-5-15-34-54/h1-42H,43H2.

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

3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 857.07 g/mol, XLogP of 15.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177312540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).