9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene

C25H22O — CID 167095127

IUPAC9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene
SMILESC/C=C\C=C(/C)C1(c2ccccc2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H22O/c1-3-4-12-19(2)25(20-13-6-5-7-14-20)21-15-8-10-17-23(21)26-24-18-11-9-16-22(24)25/h3-18H,1-2H3/b4-3-,19-12+
InChIKeyNUFUIYCVZFUGBY-XCYFYWMJSA-N
MW338.45 g/mol
LogP6.65
Rot. Bonds3

About 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene

9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene (PubChem CID 167095127) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene.

Molecular Properties

Compound Name9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene
PubChem CID167095127
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene
SMILESC/C=C\C=C(/C)C1(c2ccccc2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H22O/c1-3-4-12-19(2)25(20-13-6-5-7-14-20)21-15-8-10-17-23(21)26-24-18-11-9-16-22(24)25/h3-18H,1-2H3/b4-3-,19-12+
InChIKeyNUFUIYCVZFUGBY-XCYFYWMJSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene?
The IUPAC name of 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene (CID 167095127) is 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene.
What is the SMILES notation for 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene?
The canonical SMILES for 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene is C/C=C\C=C(/C)C1(c2ccccc2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene?
The InChIKey is NUFUIYCVZFUGBY-XCYFYWMJSA-N. The full InChI is InChI=1S/C25H22O/c1-3-4-12-19(2)25(20-13-6-5-7-14-20)21-15-8-10-17-23(21)26-24-18-11-9-16-22(24)25/h3-18H,1-2H3/b4-3-,19-12+.
What are the key properties of 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene?
9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene has a molecular weight of 338.45 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene is sourced from PubChem (CID 167095127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).