1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine

C49H35N — CID 86227869

IUPAC1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine
SMILESc1ccc(C(=Nc2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H35N/c1-7-21-36(22-8-1)43-35-44(42-33-19-20-34-45(42)50-49(40-29-15-5-16-30-40)41-31-17-6-18-32-41)47(38-25-11-3-12-26-38)48(39-27-13-4-14-28-39)46(43)37-23-9-2-10-24-37/h1-35H
InChIKeyQBJDIIBIAVSMBA-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.19
Rot. Bonds8

About 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine

1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine (PubChem CID 86227869) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine
PubChem CID86227869
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine
SMILESc1ccc(C(=Nc2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H35N/c1-7-21-36(22-8-1)43-35-44(42-33-19-20-34-45(42)50-49(40-29-15-5-16-30-40)41-31-17-6-18-32-41)47(38-25-11-3-12-26-38)48(39-27-13-4-14-28-39)46(43)37-23-9-2-10-24-37/h1-35H
InChIKeyQBJDIIBIAVSMBA-UHFFFAOYSA-N
XLogP13.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647992
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647988
1-ethynyl-3-(2,3,4,5-tetraphenylphenyl)azulene
CID 12022935
2-(2-hydroxyphenyl)-3,4,5-triphenylphenol
CID 175029537
N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
CID 134845676
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
2,3,4,5-tetraphenyl-N-(2,3,4,5-tetraphenylphenyl)-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]aniline
CID 175590925
1,2,3,4-tetraphenyltetraphenylene
CID 12596759
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine (CID 86227869) is 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine is c1ccc(C(=Nc2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine?
The InChIKey is QBJDIIBIAVSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-7-21-36(22-8-1)43-35-44(42-33-19-20-34-45(42)50-49(40-29-15-5-16-30-40)41-31-17-6-18-32-41)47(38-25-11-3-12-26-38)48(39-27-13-4-14-28-39)46(43)37-23-9-2-10-24-37/h1-35H.
What are the key properties of 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine?
1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine has a molecular weight of 637.83 g/mol, XLogP of 13.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine is sourced from PubChem (CID 86227869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).