9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine

C59H41N — CID 59282384

About 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine (PubChem CID 59282384) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine
• PubChem CID: 59282384
• Molecular Formula: C59H41N
• Molecular Weight: 763.98 g/mol
• Exact Mass: 763.32
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C59H41N/c1-59(2)55-36-42(29-31-49(55)50-32-30-45(37-56(50)59)60(44-19-4-3-5-20-44)57-26-14-18-39-16-8-9-21-46(39)57)54-35-43-34-53(41-28-27-38-15-6-7-17-40(38)33-41)47-22-10-12-24-51(47)58(43)52-25-13-11-23-48(52)54/h3-37H,1-2H3
• InChIKey: KNHPVZKFMJCFML-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.98
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine (CID 59282384) is 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine is CC1(C)c2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine?

The InChIKey is KNHPVZKFMJCFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-59(2)55-36-42(29-31-49(55)50-32-30-45(37-56(50)59)60(44-19-4-3-5-20-44)57-26-14-18-39-16-8-9-21-46(39)57)54-35-43-34-53(41-28-27-38-15-6-7-17-40(38)33-41)47-22-10-12-24-51(47)58(43)52-25-13-11-23-48(52)54/h3-37H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine has a molecular weight of 763.98 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 59282384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).