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

C58H48N2 — CID 121323857

IUPAC4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(CC)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H48N2/c1-3-43-15-31-53(32-16-43)59(55-35-23-49(24-36-55)45-11-7-5-8-12-45)57-39-27-51(28-40-57)47-19-21-48(22-20-47)52-29-41-58(42-30-52)60(54-33-17-44(4-2)18-34-54)56-37-25-50(26-38-56)46-13-9-6-10-14-46/h5-42H,3-4H2,1-2H3
InChIKeyYPYGGMSELFWDMD-UHFFFAOYSA-N
MW773.04 g/mol
LogP16.42
Rot. Bonds12

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

4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 121323857) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID121323857
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC Name4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(CC)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H48N2/c1-3-43-15-31-53(32-16-43)59(55-35-23-49(24-36-55)45-11-7-5-8-12-45)57-39-27-51(28-40-57)47-19-21-48(22-20-47)52-29-41-58(42-30-52)60(54-33-17-44(4-2)18-34-54)56-37-25-50(26-38-56)46-13-9-6-10-14-46/h5-42H,3-4H2,1-2H3
InChIKeyYPYGGMSELFWDMD-UHFFFAOYSA-N
XLogP16.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
4-[4-[(Z)-2-(4-ethylphenyl)-1-phenyl-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]-N,N-diphenylaniline
CID 134394669
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 121323857) is 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is CCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(CC)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is YPYGGMSELFWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-3-43-15-31-53(32-16-43)59(55-35-23-49(24-36-55)45-11-7-5-8-12-45)57-39-27-51(28-40-57)47-19-21-48(22-20-47)52-29-41-58(42-30-52)60(54-33-17-44(4-2)18-34-54)56-37-25-50(26-38-56)46-13-9-6-10-14-46/h5-42H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 773.04 g/mol, XLogP of 16.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121323857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).