[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone

C75H54N2O2 — CID 122429601

About [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone

[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone (PubChem CID 122429601) has the molecular formula C75H54N2O2 and a molecular weight of 1015.27 g/mol. Its IUPAC name is [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

• Compound Name: [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
• PubChem CID: 122429601
• Molecular Formula: C75H54N2O2
• Molecular Weight: 1015.27 g/mol
• Exact Mass: 1014.42
• IUPAC Name: [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
• SMILES: O=C(c1ccccc1)c1ccc(-c2ccc(C(c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc3)(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C75H54N2O2/c78-73(59-19-7-1-8-20-59)61-35-31-55(32-36-61)57-39-43-63(44-40-57)75(65-47-51-71(52-48-65)76(67-23-11-3-12-24-67)68-25-13-4-14-26-68,66-49-53-72(54-50-66)77(69-27-15-5-16-28-69)70-29-17-6-18-30-70)64-45-41-58(42-46-64)56-33-37-62(38-34-56)74(79)60-21-9-2-10-22-60/h1-54H
• InChIKey: UXJNIYMUADKHFH-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.27
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone?

The IUPAC name of [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone (CID 122429601) is [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone.

What is the SMILES notation for [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone?

The canonical SMILES for [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2ccc(C(c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc3)(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone?

The InChIKey is UXJNIYMUADKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N2O2/c78-73(59-19-7-1-8-20-59)61-35-31-55(32-36-61)57-39-43-63(44-40-57)75(65-47-51-71(52-48-65)76(67-23-11-3-12-24-67)68-25-13-4-14-26-68,66-49-53-72(54-50-66)77(69-27-15-5-16-28-69)70-29-17-6-18-30-70)64-45-41-58(42-46-64)56-33-37-62(38-34-56)74(79)60-21-9-2-10-22-60/h1-54H.

What are the key properties of [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone?

[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 1015.27 g/mol, XLogP of 18.80, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 122429601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).