1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol

C37H42N2O — CID 139611292

IUPAC1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol
SMILESCCN(CC)c1ccccc1C(=CC=CC(O)(c1ccccc1)c1ccccc1N(CC)CC)c1ccccc1
InChIInChI=1S/C37H42N2O/c1-5-38(6-2)35-27-17-15-24-33(35)32(30-20-11-9-12-21-30)25-19-29-37(40,31-22-13-10-14-23-31)34-26-16-18-28-36(34)39(7-3)8-4/h9-29,40H,5-8H2,1-4H3
InChIKeyKVJQUXQIKWQCGB-UHFFFAOYSA-N
MW530.76 g/mol
LogP8.30
Rot. Bonds12

About 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol

1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol (PubChem CID 139611292) has the molecular formula C37H42N2O and a molecular weight of 530.76 g/mol. Its IUPAC name is 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol
PubChem CID139611292
Molecular FormulaC37H42N2O
Molecular Weight530.76 g/mol
Exact Mass530.33
IUPAC Name1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol
SMILESCCN(CC)c1ccccc1C(=CC=CC(O)(c1ccccc1)c1ccccc1N(CC)CC)c1ccccc1
InChIInChI=1S/C37H42N2O/c1-5-38(6-2)35-27-17-15-24-33(35)32(30-20-11-9-12-21-30)25-19-29-37(40,31-22-13-10-14-23-31)34-26-16-18-28-36(34)39(7-3)8-4/h9-29,40H,5-8H2,1-4H3
InChIKeyKVJQUXQIKWQCGB-UHFFFAOYSA-N
XLogP8.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.76
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dienyl] perchlorate
CID 73411961
[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate
CID 151936887
2-[1-[2-(diethylamino)phenyl]-4,4-bis(2-methoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
CID 23053503
CID 173341726
CID 173341726
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
N,N-diethyl-2-triphenylstannylaniline
CID 159469705
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
N,N-diethyl-3-methoxy-4-(1-phenylbuta-1,3-dienyl)aniline
CID 139761075
4-[1-[4-(dipropylamino)phenyl]-6,6-diphenylhexa-1,3,5-trienyl]-N,N-dipropylaniline
CID 59989781

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol?
The IUPAC name of 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol (CID 139611292) is 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol.
What is the SMILES notation for 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol?
The canonical SMILES for 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol is CCN(CC)c1ccccc1C(=CC=CC(O)(c1ccccc1)c1ccccc1N(CC)CC)c1ccccc1.
What is the InChIKey of 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol?
The InChIKey is KVJQUXQIKWQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2O/c1-5-38(6-2)35-27-17-15-24-33(35)32(30-20-11-9-12-21-30)25-19-29-37(40,31-22-13-10-14-23-31)34-26-16-18-28-36(34)39(7-3)8-4/h9-29,40H,5-8H2,1-4H3.
What are the key properties of 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol?
1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol has a molecular weight of 530.76 g/mol, XLogP of 8.30, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol is sourced from PubChem (CID 139611292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).