2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C52H37N3 — CID 134447548

About 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 134447548) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 134447548
• Molecular Formula: C52H37N3
• Molecular Weight: 703.89 g/mol
• Exact Mass: 703.30
• IUPAC Name: 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: C1=C(c2ccccc2)C=C(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)CC1
• InChI: InChI=1S/C52H37N3/c1-5-17-36(18-6-1)38-21-15-23-40(33-38)49-53-50(41-24-16-22-39(34-41)37-19-7-2-8-20-37)55-51(54-49)42-31-32-46-45-29-13-14-30-47(45)52(48(46)35-42,43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-15,17-23,25-35H,16,24H2
• InChIKey: JCOKTZCKVXBYTK-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.89
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 134447548) is 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is C1=C(c2ccccc2)C=C(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)CC1.

What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is JCOKTZCKVXBYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-5-17-36(18-6-1)38-21-15-23-40(33-38)49-53-50(41-24-16-22-39(34-41)37-19-7-2-8-20-37)55-51(54-49)42-31-32-46-45-29-13-14-30-47(45)52(48(46)35-42,43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-15,17-23,25-35H,16,24H2.

What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 703.89 g/mol, XLogP of 12.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134447548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).