N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C48H35N — CID 172502615

IUPACN-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-4-16-36(17-5-1)37-28-30-38(31-29-37)39-32-34-42(35-33-39)49(41-20-8-3-9-21-41)48-27-15-14-26-47(48)46-25-13-12-24-45(46)44-23-11-10-22-43(44)40-18-6-2-7-19-40/h1-35H
InChIKeyIAODWNVXBPEEKC-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.49
Rot. Bonds8

About N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 172502615) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID172502615
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC NameN-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-4-16-36(17-5-1)37-28-30-38(31-29-37)39-32-34-42(35-33-39)49(41-20-8-3-9-21-41)48-27-15-14-26-47(48)46-25-13-12-24-45(46)44-23-11-10-22-43(44)40-18-6-2-7-19-40/h1-35H
InChIKeyIAODWNVXBPEEKC-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 172502615) is N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is IAODWNVXBPEEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-4-16-36(17-5-1)37-28-30-38(31-29-37)39-32-34-42(35-33-39)49(41-20-8-3-9-21-41)48-27-15-14-26-47(48)46-25-13-12-24-45(46)44-23-11-10-22-43(44)40-18-6-2-7-19-40/h1-35H.
What are the key properties of N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 625.82 g/mol, XLogP of 13.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).