8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine

C65H46N2 — CID 59282237

About 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine

8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine (PubChem CID 59282237) has the molecular formula C65H46N2 and a molecular weight of 855.10 g/mol. Its IUPAC name is 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine.

Molecular Properties

• Compound Name: 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine
• PubChem CID: 59282237
• Molecular Formula: C65H46N2
• Molecular Weight: 855.10 g/mol
• Exact Mass: 854.37
• IUPAC Name: 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine
• SMILES: CC1(C)c2cc(-c3cc4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C65H46N2/c1-65(2)61-40-47(31-35-55(61)56-36-34-53(42-62(56)65)66(49-21-5-3-6-22-49)50-23-7-4-8-24-50)60-39-48-41-63(57-26-14-16-28-59(57)64(48)58-27-15-13-25-54(58)60)67(51-32-29-43-17-9-11-19-45(43)37-51)52-33-30-44-18-10-12-20-46(44)38-52/h3-42H,1-2H3
• InChIKey: IYBMIMHECPRAEY-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.10
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine (CID 59282237) is 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine.

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

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

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

The InChIKey is IYBMIMHECPRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2/c1-65(2)61-40-47(31-35-55(61)56-36-34-53(42-62(56)65)66(49-21-5-3-6-22-49)50-23-7-4-8-24-50)60-39-48-41-63(57-26-14-16-28-59(57)64(48)58-27-15-13-25-54(58)60)67(51-32-29-43-17-9-11-19-45(43)37-51)52-33-30-44-18-10-12-20-46(44)38-52/h3-42H,1-2H3.

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

8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine has a molecular weight of 855.10 g/mol, XLogP of 18.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine is sourced from PubChem (CID 59282237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).