2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine

C65H43N3 — CID 89061988

About 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine

2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine (PubChem CID 89061988) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine
• PubChem CID: 89061988
• Molecular Formula: C65H43N3
• Molecular Weight: 866.08 g/mol
• Exact Mass: 865.35
• IUPAC Name: 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine
• SMILES: c1ccc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3cc4ccccc4c4ccccc34)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)nc23)cc1
• InChI: InChI=1S/C65H43N3/c1-4-20-46(21-5-1)63-58-37-36-54(67(50-25-6-2-7-26-50)52-34-32-44-18-10-12-22-47(44)40-52)43-61(58)64(60-42-49-24-14-15-29-55(49)56-30-16-17-31-57(56)60)59-38-39-62(66-65(59)63)68(51-27-8-3-9-28-51)53-35-33-45-19-11-13-23-48(45)41-53/h1-43H
• InChIKey: MZULIFXURLAKPD-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.08
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine?

The IUPAC name of 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine (CID 89061988) is 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine.

What is the SMILES notation for 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine?

The canonical SMILES for 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine is c1ccc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3cc4ccccc4c4ccccc34)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)nc23)cc1.

What is the InChIKey of 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine?

The InChIKey is MZULIFXURLAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-4-20-46(21-5-1)63-58-37-36-54(67(50-25-6-2-7-26-50)52-34-32-44-18-10-12-22-47(44)40-52)43-61(58)64(60-42-49-24-14-15-29-55(49)56-30-16-17-31-57(56)60)59-38-39-62(66-65(59)63)68(51-27-8-3-9-28-51)53-35-33-45-19-11-13-23-48(45)41-53/h1-43H.

What are the key properties of 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine?

2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine has a molecular weight of 866.08 g/mol, XLogP of 18.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine is sourced from PubChem (CID 89061988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).