6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline

C52H41N5 — CID 129201054

About 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline

6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline (PubChem CID 129201054) has the molecular formula C52H41N5 and a molecular weight of 735.94 g/mol. Its IUPAC name is 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

• Compound Name: 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
• PubChem CID: 129201054
• Molecular Formula: C52H41N5
• Molecular Weight: 735.94 g/mol
• Exact Mass: 735.34
• IUPAC Name: 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
• SMILES: CC1(C)c2ccc(-c3cc(-c4cc5c(c6ncccc46)NCC=C5)cc(C4N=C(c5ccccc5)NC(c5ccccc5)N4)c3)cc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C52H41N5/c1-52(2)44-23-22-35(30-43(44)46-40-19-10-9-13-32(40)21-24-45(46)52)37-27-38(42-31-36-18-11-25-53-47(36)48-41(42)20-12-26-54-48)29-39(28-37)51-56-49(33-14-5-3-6-15-33)55-50(57-51)34-16-7-4-8-17-34/h3-24,26-31,49,51,53,56H,25H2,1-2H3,(H,55,57)
• InChIKey: CILSDKKLBUGQEH-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 61.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.94
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?

The IUPAC name of 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline (CID 129201054) is 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline.

What is the SMILES notation for 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?

The canonical SMILES for 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline is CC1(C)c2ccc(-c3cc(-c4cc5c(c6ncccc46)NCC=C5)cc(C4N=C(c5ccccc5)NC(c5ccccc5)N4)c3)cc2-c2c1ccc1ccccc21.

What is the InChIKey of 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?

The InChIKey is CILSDKKLBUGQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N5/c1-52(2)44-23-22-35(30-43(44)46-40-19-10-9-13-32(40)21-24-45(46)52)37-27-38(42-31-36-18-11-25-53-47(36)48-41(42)20-12-26-54-48)29-39(28-37)51-56-49(33-14-5-3-6-15-33)55-50(57-51)34-16-7-4-8-17-34/h3-24,26-31,49,51,53,56H,25H2,1-2H3,(H,55,57).

What are the key properties of 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?

6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline has a molecular weight of 735.94 g/mol, XLogP of 11.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 129201054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).