N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline

C82H62N4 — CID 22886942

About N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline

N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline (PubChem CID 22886942) has the molecular formula C82H62N4 and a molecular weight of 1103.43 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline
• PubChem CID: 22886942
• Molecular Formula: C82H62N4
• Molecular Weight: 1103.43 g/mol
• Exact Mass: 1102.50
• IUPAC Name: N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc(C3CC(c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5c(-n5c6ccccc6c6cc(C7CC(c8ccc(N(c9ccccc9)c9ccccc9)cc8)C7)ccc65)c5ccccc45)C3)cc2)cc1
• InChI: InChI=1S/C82H62N4/c1-5-21-63(22-6-1)83(64-23-7-2-8-24-64)67-43-37-55(38-44-67)59-49-61(50-59)57-41-47-79-75(53-57)69-29-17-19-35-77(69)85(79)81-71-31-13-15-33-73(71)82(74-34-16-14-32-72(74)81)86-78-36-20-18-30-70(78)76-54-58(42-48-80(76)86)62-51-60(52-62)56-39-45-68(46-40-56)84(65-25-9-3-10-26-65)66-27-11-4-12-28-66/h1-48,53-54,59-62H,49-52H2
• InChIKey: CRZZZUGINZVYKR-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.43
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline?

The IUPAC name of N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline (CID 22886942) is N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline is c1ccc(N(c2ccccc2)c2ccc(C3CC(c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5c(-n5c6ccccc6c6cc(C7CC(c8ccc(N(c9ccccc9)c9ccccc9)cc8)C7)ccc65)c5ccccc45)C3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline?

The InChIKey is CRZZZUGINZVYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62N4/c1-5-21-63(22-6-1)83(64-23-7-2-8-24-64)67-43-37-55(38-44-67)59-49-61(50-59)57-41-47-79-75(53-57)69-29-17-19-35-77(69)85(79)81-71-31-13-15-33-73(71)82(74-34-16-14-32-72(74)81)86-78-36-20-18-30-70(78)76-54-58(42-48-80(76)86)62-51-60(52-62)56-39-45-68(46-40-56)84(65-25-9-3-10-26-65)66-27-11-4-12-28-66/h1-48,53-54,59-62H,49-52H2.

What are the key properties of N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline?

N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline has a molecular weight of 1103.43 g/mol, XLogP of 22.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline is sourced from PubChem (CID 22886942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).