5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline

C57H38N2 — CID 59183207

About 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline

5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline (PubChem CID 59183207) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline.

Molecular Properties

• Compound Name: 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
• PubChem CID: 59183207
• Molecular Formula: C57H38N2
• Molecular Weight: 750.95 g/mol
• Exact Mass: 750.30
• IUPAC Name: 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
• SMILES: CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ncccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)cc21
• InChI: InChI=1S/C57H38N2/c1-57(2)49-33-39(51-43-18-8-10-20-45(43)53(36-15-4-3-5-16-36)55-47(51)22-12-30-58-55)26-28-41(49)42-29-27-40(34-50(42)57)52-44-19-9-11-21-46(44)54(56-48(52)23-13-31-59-56)38-25-24-35-14-6-7-17-37(35)32-38/h3-34H,1-2H3
• InChIKey: INSYDLUOOTXMAJ-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.95
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline?

The IUPAC name of 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline (CID 59183207) is 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline.

What is the SMILES notation for 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline?

The canonical SMILES for 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ncccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)cc21.

What is the InChIKey of 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline?

The InChIKey is INSYDLUOOTXMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-57(2)49-33-39(51-43-18-8-10-20-45(43)53(36-15-4-3-5-16-36)55-47(51)22-12-30-58-55)26-28-41(49)42-29-27-40(34-50(42)57)52-44-19-9-11-21-46(44)54(56-48(52)23-13-31-59-56)38-25-24-35-14-6-7-17-37(35)32-38/h3-34H,1-2H3.

What are the key properties of 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline?

5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline has a molecular weight of 750.95 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline is sourced from PubChem (CID 59183207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).