2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine

C52H39N3 — CID 123803829

About 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine

2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine (PubChem CID 123803829) has the molecular formula C52H39N3 and a molecular weight of 705.90 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine
• PubChem CID: 123803829
• Molecular Formula: C52H39N3
• Molecular Weight: 705.90 g/mol
• Exact Mass: 705.31
• IUPAC Name: 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine
• SMILES: C=CC=C(C)c1nc(-c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)n1
• InChI: InChI=1S/C52H39N3/c1-5-16-33(2)48-53-49(35-26-29-42-45(31-35)51(3,4)44-30-27-34-17-12-13-22-39(34)47(42)44)55-50(54-48)36-25-28-41-40-23-14-15-24-43(40)52(46(41)32-36,37-18-8-6-9-19-37)38-20-10-7-11-21-38/h5-32H,1H2,2-4H3
• InChIKey: ZGMCHUYMNUSRDR-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.90
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine?

The IUPAC name of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine (CID 123803829) is 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine?

The canonical SMILES for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine is C=CC=C(C)c1nc(-c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)n1.

What is the InChIKey of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine?

The InChIKey is ZGMCHUYMNUSRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-5-16-33(2)48-53-49(35-26-29-42-45(31-35)51(3,4)44-30-27-34-17-12-13-22-39(34)47(42)44)55-50(54-48)36-25-28-41-40-23-14-15-24-43(40)52(46(41)32-36,37-18-8-6-9-19-37)38-20-10-7-11-21-38/h5-32H,1H2,2-4H3.

What are the key properties of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine?

2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine has a molecular weight of 705.90 g/mol, XLogP of 12.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-penta-2,4-dien-2-yl-1,3,5-triazine is sourced from PubChem (CID 123803829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).