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

C62H43N5 — CID 137208878

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

5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine (PubChem CID 137208878) has the molecular formula C62H43N5 and a molecular weight of 858.06 g/mol. Its IUPAC name is 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine.

Molecular Properties

• Compound Name: 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
• PubChem CID: 137208878
• Molecular Formula: C62H43N5
• Molecular Weight: 858.06 g/mol
• Exact Mass: 857.35
• IUPAC Name: 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
• SMILES: CC1(C)c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccncc56)c5ccccc45)cc(C4N=C(c5ccccc5)N=C(c5ccccc5)N4)c3)cc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C62H43N5/c1-62(2)54-29-26-41(36-52(54)57-46-20-10-9-15-38(46)25-30-55(57)62)42-33-43(35-44(34-42)61-66-59(39-16-5-3-6-17-39)65-60(67-61)40-18-7-4-8-19-40)45-27-28-51(48-22-12-11-21-47(45)48)58-53-37-63-32-31-49(53)50-23-13-14-24-56(50)64-58/h3-37,61H,1-2H3,(H,65,66,67)
• InChIKey: UYSDHDILKSNGIG-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.06
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine (CID 137208878) is 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine.

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

The canonical SMILES for 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine is CC1(C)c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccncc56)c5ccccc45)cc(C4N=C(c5ccccc5)N=C(c5ccccc5)N4)c3)cc2-c2c1ccc1ccccc21.

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

The InChIKey is UYSDHDILKSNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N5/c1-62(2)54-29-26-41(36-52(54)57-46-20-10-9-15-38(46)25-30-55(57)62)42-33-43(35-44(34-42)61-66-59(39-16-5-3-6-17-39)65-60(67-61)40-18-7-4-8-19-40)45-27-28-51(48-22-12-11-21-47(45)48)58-53-37-63-32-31-49(53)50-23-13-14-24-56(50)64-58/h3-37,61H,1-2H3,(H,65,66,67).

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

5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine has a molecular weight of 858.06 g/mol, XLogP of 14.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine is sourced from PubChem (CID 137208878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).