(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol

C21H22O — CID 145321290

IUPAC(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol
SMILESC/C=C\C=C/C=C/CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O/c1-2-3-4-5-6-13-18-21(22,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h2-17,22H,18H2,1H3/b3-2-,5-4-,13-6+
InChIKeyRRCVRKSSFNNZJL-GRUVCEPESA-N
MW290.41 g/mol
LogP5.00
Rot. Bonds6

About (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol

(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol (PubChem CID 145321290) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol.

Molecular Properties

Compound Name(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol
PubChem CID145321290
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol
SMILESC/C=C\C=C/C=C/CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O/c1-2-3-4-5-6-13-18-21(22,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h2-17,22H,18H2,1H3/b3-2-,5-4-,13-6+
InChIKeyRRCVRKSSFNNZJL-GRUVCEPESA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)-1,1-diphenylpent-3-en-1-ol;hydrochloride
CID 171145453
bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol
CID 59962342
(E)-1-phenyl-1-trimethylsilylpent-3-en-1-ol
CID 101050271
diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
CID 144560706
ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene
CID 144893157
[(E)-1,1-bis(methylsulfanyl)pent-3-enyl]benzene
CID 134919659
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
hepta-3,5-dienylbenzene
CID 54230830
propan-2-yl (E)-6-hydroxy-6,6-diphenylhex-3-enedithioate
CID 5369781
3-[(2E,4E)-hexa-2,4-dienyl]-3-(1-phenylprop-2-enyl)pentane-2,4-dione
CID 20732857
2-iodo-1,1-diphenylethanol
CID 11738821
2-(N-methylanilino)-1,1-diphenylethanol
CID 138972494

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol?
The IUPAC name of (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol (CID 145321290) is (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol.
What is the SMILES notation for (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol?
The canonical SMILES for (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol is C/C=C\C=C/C=C/CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol?
The InChIKey is RRCVRKSSFNNZJL-GRUVCEPESA-N. The full InChI is InChI=1S/C21H22O/c1-2-3-4-5-6-13-18-21(22,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h2-17,22H,18H2,1H3/b3-2-,5-4-,13-6+.
What are the key properties of (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol?
(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol has a molecular weight of 290.41 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol is sourced from PubChem (CID 145321290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).