N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline

C40H49N — CID 122484986

IUPACN-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline
SMILESCCCc1cc(C)c(NC(CC)c2ccc(C=C(c3ccccc3)c3ccc(CCC)cc3CCC)cc2)c(C)c1
InChIInChI=1S/C40H49N/c1-7-14-31-21-24-37(36(27-31)16-9-3)38(34-17-12-11-13-18-34)28-32-19-22-35(23-20-32)39(10-4)41-40-29(5)25-33(15-8-2)26-30(40)6/h11-13,17-28,39,41H,7-10,14-16H2,1-6H3
InChIKeyOWZOFDNADBVVSN-UHFFFAOYSA-N
MW543.84 g/mol
LogP11.31
Rot. Bonds13

About N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline

N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline (PubChem CID 122484986) has the molecular formula C40H49N and a molecular weight of 543.84 g/mol. Its IUPAC name is N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline.

Molecular Properties

Compound NameN-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline
PubChem CID122484986
Molecular FormulaC40H49N
Molecular Weight543.84 g/mol
Exact Mass543.39
IUPAC NameN-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline
SMILESCCCc1cc(C)c(NC(CC)c2ccc(C=C(c3ccccc3)c3ccc(CCC)cc3CCC)cc2)c(C)c1
InChIInChI=1S/C40H49N/c1-7-14-31-21-24-37(36(27-31)16-9-3)38(34-17-12-11-13-18-34)28-32-19-22-35(23-20-32)39(10-4)41-40-29(5)25-33(15-8-2)26-30(40)6/h11-13,17-28,39,41H,7-10,14-16H2,1-6H3
InChIKeyOWZOFDNADBVVSN-UHFFFAOYSA-N
XLogP11.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.84
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
CID 122484978
benzoyloxycarbonyl 2,4-dipropylbenzoate
CID 175108274
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
CID 20813136
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741
1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
CID 162415494
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
1-ethenyl-2,4-dipropylbenzene
CID 22033822
1-[4-(2,2-diphenylethenyl)phenyl]-3-[4-[(1Z,3E,4Z)-3-ethylidene-2-phenylhepta-1,4,6-trienyl]phenyl]-5-propylbenzene;ethane
CID 144583790

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline?
The IUPAC name of N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline (CID 122484986) is N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline.
What is the SMILES notation for N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline?
The canonical SMILES for N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline is CCCc1cc(C)c(NC(CC)c2ccc(C=C(c3ccccc3)c3ccc(CCC)cc3CCC)cc2)c(C)c1.
What is the InChIKey of N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline?
The InChIKey is OWZOFDNADBVVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N/c1-7-14-31-21-24-37(36(27-31)16-9-3)38(34-17-12-11-13-18-34)28-32-19-22-35(23-20-32)39(10-4)41-40-29(5)25-33(15-8-2)26-30(40)6/h11-13,17-28,39,41H,7-10,14-16H2,1-6H3.
What are the key properties of N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline?
N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline has a molecular weight of 543.84 g/mol, XLogP of 11.31, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(2,4-dipropylphenyl)-2-phenylethenyl]phenyl]propyl]-2,6-dimethyl-4-propylaniline is sourced from PubChem (CID 122484986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).