4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline

C121H88N4 — CID 90076806

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline (PubChem CID 90076806) has the molecular formula C121H88N4 and a molecular weight of 1598.06 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline
• PubChem CID: 90076806
• Molecular Formula: C121H88N4
• Molecular Weight: 1598.06 g/mol
• Exact Mass: 1596.70
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C121H88N4/c1-9-25-89(26-10-1)97-41-65-109(66-42-97)122(110-67-43-98(44-68-110)90-27-11-2-12-28-90)117-81-57-105(58-82-117)121(106-59-83-118(84-60-106)123(111-69-45-99(46-70-111)91-29-13-3-14-30-91)112-71-47-100(48-72-112)92-31-15-4-16-32-92,107-61-85-119(86-62-107)124(113-73-49-101(50-74-113)93-33-17-5-18-34-93)114-75-51-102(52-76-114)94-35-19-6-20-36-94)108-63-87-120(88-64-108)125(115-77-53-103(54-78-115)95-37-21-7-22-38-95)116-79-55-104(56-80-116)96-39-23-8-24-40-96/h1-88H
• InChIKey: QXFNGUWTADOYQC-UHFFFAOYSA-N
• XLogP: 33.28
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1598.06
LogP ≤ 5	33.28
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-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline (CID 90076806) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline?

The InChIKey is QXFNGUWTADOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H88N4/c1-9-25-89(26-10-1)97-41-65-109(66-42-97)122(110-67-43-98(44-68-110)90-27-11-2-12-28-90)117-81-57-105(58-82-117)121(106-59-83-118(84-60-106)123(111-69-45-99(46-70-111)91-29-13-3-14-30-91)112-71-47-100(48-72-112)92-31-15-4-16-32-92,107-61-85-119(86-62-107)124(113-73-49-101(50-74-113)93-33-17-5-18-34-93)114-75-51-102(52-76-114)94-35-19-6-20-36-94)108-63-87-120(88-64-108)125(115-77-53-103(54-78-115)95-37-21-7-22-38-95)116-79-55-104(56-80-116)96-39-23-8-24-40-96/h1-88H.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline?

4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline has a molecular weight of 1598.06 g/mol, XLogP of 33.28, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline is sourced from PubChem (CID 90076806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).