2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline

C38H44N2O2 — CID 23053503

IUPAC2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1C(=CC=C(c1ccccc1OC)c1ccccc1OC)c1ccccc1N(CC)CC
InChIInChI=1S/C38H44N2O2/c1-7-39(8-2)35-23-15-11-19-31(35)29(32-20-12-16-24-36(32)40(9-3)10-4)27-28-30(33-21-13-17-25-37(33)41-5)34-22-14-18-26-38(34)42-6/h11-28H,7-10H2,1-6H3
InChIKeyDKHBABFDSOHSNP-UHFFFAOYSA-N
MW560.78 g/mol
LogP8.96
Rot. Bonds13

About 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline

2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline (PubChem CID 23053503) has the molecular formula C38H44N2O2 and a molecular weight of 560.78 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
PubChem CID23053503
Molecular FormulaC38H44N2O2
Molecular Weight560.78 g/mol
Exact Mass560.34
IUPAC Name2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1C(=CC=C(c1ccccc1OC)c1ccccc1OC)c1ccccc1N(CC)CC
InChIInChI=1S/C38H44N2O2/c1-7-39(8-2)35-23-15-11-19-31(35)29(32-20-12-16-24-36(32)40(9-3)10-4)27-28-30(33-21-13-17-25-37(33)41-5)34-22-14-18-26-38(34)42-6/h11-28H,7-10H2,1-6H3
InChIKeyDKHBABFDSOHSNP-UHFFFAOYSA-N
XLogP8.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.78
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(2-methoxyphenyl)prop-2-enal
CID 14347228
N,N-diethyl-3-methoxy-4-(1-phenylbuta-1,3-dienyl)aniline
CID 139761075
1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
CID 12531508
(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83951109
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
(Z)-3-(2-methoxyphenyl)pent-2-enal
CID 115018197
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 67583154
2-amino-1-[2-(diethylamino)phenyl]ethanone
CID 83820084
CID 135043978
CID 135043978
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide
CID 50792211
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline?
The IUPAC name of 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline (CID 23053503) is 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline.
What is the SMILES notation for 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline?
The canonical SMILES for 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline is CCN(CC)c1ccccc1C(=CC=C(c1ccccc1OC)c1ccccc1OC)c1ccccc1N(CC)CC.
What is the InChIKey of 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline?
The InChIKey is DKHBABFDSOHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2O2/c1-7-39(8-2)35-23-15-11-19-31(35)29(32-20-12-16-24-36(32)40(9-3)10-4)27-28-30(33-21-13-17-25-37(33)41-5)34-22-14-18-26-38(34)42-6/h11-28H,7-10H2,1-6H3.
What are the key properties of 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline?
2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline has a molecular weight of 560.78 g/mol, XLogP of 8.96, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline is sourced from PubChem (CID 23053503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).