9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C54H38N2O — CID 166889242

About 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166889242) has the molecular formula C54H38N2O and a molecular weight of 730.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 166889242
• Molecular Formula: C54H38N2O
• Molecular Weight: 730.91 g/mol
• Exact Mass: 730.30
• IUPAC Name: 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4c4oc(-c6ccccc6)nc54)cc3)cc21
• InChI: InChI=1S/C54H38N2O/c1-54(2)49-20-12-11-18-44(49)45-32-30-42(34-50(45)54)56(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)39-25-31-46-48(33-39)43-17-9-10-19-47(43)52-51(46)55-53(57-52)38-15-7-4-8-16-38/h3-34H,1-2H3
• InChIKey: YXZXLJZMTSBGGT-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.91
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 166889242) is 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4c4oc(-c6ccccc6)nc54)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is YXZXLJZMTSBGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O/c1-54(2)49-20-12-11-18-44(49)45-32-30-42(34-50(45)54)56(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)39-25-31-46-48(33-39)43-17-9-10-19-47(43)52-51(46)55-53(57-52)38-15-7-4-8-16-38/h3-34H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 730.91 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166889242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).