(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol

C25H24O — CID 102486729

IUPAC(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol
SMILESOCC(C/C=C/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O/c26-21-25(23-16-8-2-9-17-23,24-18-10-3-11-19-24)20-12-4-7-15-22-13-5-1-6-14-22/h1-19,26H,20-21H2/b12-4+,15-7+
InChIKeyUYSNPTWNMGECNJ-CWUHIXJFSA-N
MW340.47 g/mol
LogP5.62
Rot. Bonds7

About (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol

(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol (PubChem CID 102486729) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol
PubChem CID102486729
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol
SMILESOCC(C/C=C/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O/c26-21-25(23-16-8-2-9-17-23,24-18-10-3-11-19-24)20-12-4-7-15-22-13-5-1-6-14-22/h1-19,26H,20-21H2/b12-4+,15-7+
InChIKeyUYSNPTWNMGECNJ-CWUHIXJFSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-diphenylhept-4-en-1-ol
CID 177416066
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(4E,6E)-7-phenylhepta-4,6-dien-1-ol
CID 134982496
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
1,11-diphenylundeca-1,3,8,10-tetraen-6-one
CID 76545225
1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene
CID 138963154
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol?
The IUPAC name of (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol (CID 102486729) is (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol?
The canonical SMILES for (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol is OCC(C/C=C/C=C/c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol?
The InChIKey is UYSNPTWNMGECNJ-CWUHIXJFSA-N. The full InChI is InChI=1S/C25H24O/c26-21-25(23-16-8-2-9-17-23,24-18-10-3-11-19-24)20-12-4-7-15-22-13-5-1-6-14-22/h1-19,26H,20-21H2/b12-4+,15-7+.
What are the key properties of (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol?
(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol has a molecular weight of 340.47 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol is sourced from PubChem (CID 102486729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).