N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine

C71H49N5 — CID 130452555

About N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine

N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine (PubChem CID 130452555) has the molecular formula C71H49N5 and a molecular weight of 972.21 g/mol. Its IUPAC name is N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
• PubChem CID: 130452555
• Molecular Formula: C71H49N5
• Molecular Weight: 972.21 g/mol
• Exact Mass: 971.40
• IUPAC Name: N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
• SMILES: Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C71H49N5/c1-48-30-32-49(33-31-48)50-34-39-57(40-35-50)75(59-43-44-65-62(47-59)60-26-14-16-28-64(60)71(65,55-22-10-4-11-23-55)56-24-12-5-13-25-56)58-41-36-51(37-42-58)54-38-45-67-63(46-54)61-27-15-17-29-66(61)76(67)70-73-68(52-18-6-2-7-19-52)72-69(74-70)53-20-8-3-9-21-53/h2-47H,1H3
• InChIKey: ISZCIQRXYILQSS-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.21
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

The IUPAC name of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine (CID 130452555) is N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

The InChIKey is ISZCIQRXYILQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N5/c1-48-30-32-49(33-31-48)50-34-39-57(40-35-50)75(59-43-44-65-62(47-59)60-26-14-16-28-64(60)71(65,55-22-10-4-11-23-55)56-24-12-5-13-25-56)58-41-36-51(37-42-58)54-38-45-67-63(46-54)61-27-15-17-29-66(61)76(67)70-73-68(52-18-6-2-7-19-52)72-69(74-70)53-20-8-3-9-21-53/h2-47H,1H3.

What are the key properties of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine has a molecular weight of 972.21 g/mol, XLogP of 17.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 130452555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).