N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline

C48H36N2 — CID 121262444

IUPACN,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H36N2/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-29-44(30-26-38)50-48-32-28-42(34-46(48)40-17-9-3-10-18-40)41-27-31-47(49-43-19-11-4-12-20-43)45(33-41)39-15-7-2-8-16-39/h1-34,49-50H
InChIKeyYXQKPMRDOZQIEO-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.51
Rot. Bonds9

About N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline

N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline (PubChem CID 121262444) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline.

Molecular Properties

Compound NameN,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
PubChem CID121262444
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H36N2/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-29-44(30-26-38)50-48-32-28-42(34-46(48)40-17-9-3-10-18-40)41-27-31-47(49-43-19-11-4-12-20-43)45(33-41)39-15-7-2-8-16-39/h1-34,49-50H
InChIKeyYXQKPMRDOZQIEO-UHFFFAOYSA-N
XLogP13.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline?
The IUPAC name of N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline (CID 121262444) is N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline.
What is the SMILES notation for N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline?
The canonical SMILES for N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline is c1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline?
The InChIKey is YXQKPMRDOZQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-29-44(30-26-38)50-48-32-28-42(34-46(48)40-17-9-3-10-18-40)41-27-31-47(49-43-19-11-4-12-20-43)45(33-41)39-15-7-2-8-16-39/h1-34,49-50H.
What are the key properties of N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline?
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline has a molecular weight of 640.83 g/mol, XLogP of 13.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline is sourced from PubChem (CID 121262444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).