N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline

C37H39N — CID 145346084

IUPACN-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline
SMILESC=Cc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(C4(CC)CCCC(=C)C4)cc3)cc2)cc1
InChIInChI=1S/C37H39N/c1-5-29-10-20-34(21-11-29)38(35-22-12-30(6-2)13-23-35)36-24-16-32(17-25-36)31-14-18-33(19-15-31)37(7-3)26-8-9-28(4)27-37/h5,10-25H,1,4,6-9,26-27H2,2-3H3
InChIKeyXOZQGYZBPJXVDE-UHFFFAOYSA-N
MW497.73 g/mol
LogP10.81
Rot. Bonds8

About N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline

N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline (PubChem CID 145346084) has the molecular formula C37H39N and a molecular weight of 497.73 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline
PubChem CID145346084
Molecular FormulaC37H39N
Molecular Weight497.73 g/mol
Exact Mass497.31
IUPAC NameN-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline
SMILESC=Cc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(C4(CC)CCCC(=C)C4)cc3)cc2)cc1
InChIInChI=1S/C37H39N/c1-5-29-10-20-34(21-11-29)38(35-22-12-30(6-2)13-23-35)36-24-16-32(17-25-36)31-14-18-33(19-15-31)37(7-3)26-8-9-28(4)27-37/h5,10-25H,1,4,6-9,26-27H2,2-3H3
InChIKeyXOZQGYZBPJXVDE-UHFFFAOYSA-N
XLogP10.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.73
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-[4-[(4-ethylphenyl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine
CID 153277334
N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine
CID 59383746
N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
CID 170040436
N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59800861
1-ethenyl-4-ethylbenzene;pyrrolidine
CID 174791153
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene
CID 102458684
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
9-[4-[(4-ethenylphenyl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-(4-methoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-ethylphenyl)-N-phenylfluoren-2-amine
CID 162040719
[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
CID 18935095

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline (CID 145346084) is N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline is C=Cc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(C4(CC)CCCC(=C)C4)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline?
The InChIKey is XOZQGYZBPJXVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N/c1-5-29-10-20-34(21-11-29)38(35-22-12-30(6-2)13-23-35)36-24-16-32(17-25-36)31-14-18-33(19-15-31)37(7-3)26-8-9-28(4)27-37/h5,10-25H,1,4,6-9,26-27H2,2-3H3.
What are the key properties of N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline?
N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline has a molecular weight of 497.73 g/mol, XLogP of 10.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline is sourced from PubChem (CID 145346084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).