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

C44H35N — CID 146665820

IUPACN-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C44H35N/c1-2-33-18-31-43(44(32-33)38-16-10-5-11-17-38)39-23-29-42(30-24-39)45(40-25-19-36(20-26-40)34-12-6-3-7-13-34)41-27-21-37(22-28-41)35-14-8-4-9-15-35/h3-32H,2H2,1H3
InChIKeyFUPPUWQKJSMXEE-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.39
Rot. Bonds8

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

N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 146665820) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID146665820
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC NameN-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C44H35N/c1-2-33-18-31-43(44(32-33)38-16-10-5-11-17-38)39-23-29-42(30-24-39)45(40-25-19-36(20-26-40)34-12-6-3-7-13-34)41-27-21-37(22-28-41)35-14-8-4-9-15-35/h3-32H,2H2,1H3
InChIKeyFUPPUWQKJSMXEE-UHFFFAOYSA-N
XLogP12.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene
CID 142356048
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 146665820) is N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FUPPUWQKJSMXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-2-33-18-31-43(44(32-33)38-16-10-5-11-17-38)39-23-29-42(30-24-39)45(40-25-19-36(20-26-40)34-12-6-3-7-13-34)41-27-21-37(22-28-41)35-14-8-4-9-15-35/h3-32H,2H2,1H3.
What are the key properties of N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 577.77 g/mol, XLogP of 12.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146665820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).