(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol

C25H24O2 — CID 144795099

IUPAC(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol
SMILESC=C(O)/C=C\C(=C)C1(/C(C)=C/C=C(\C)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24O2/c1-17(13-15-19(3)26)25(18(2)14-16-20(4)27)23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,26-27H,1,3H2,2,4H3/b15-13-,18-14+,20-16+
InChIKeyNRQZTNSTYSYMDU-UDFNFBFJSA-N
MW356.47 g/mol
LogP6.55
Rot. Bonds5

About (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol

(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol (PubChem CID 144795099) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol
PubChem CID144795099
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol
SMILESC=C(O)/C=C\C(=C)C1(/C(C)=C/C=C(\C)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24O2/c1-17(13-15-19(3)26)25(18(2)14-16-20(4)27)23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,26-27H,1,3H2,2,4H3/b15-13-,18-14+,20-16+
InChIKeyNRQZTNSTYSYMDU-UDFNFBFJSA-N
XLogP6.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol (CID 144795099) is (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol is C=C(O)/C=C\C(=C)C1(/C(C)=C/C=C(\C)O)c2ccccc2-c2ccccc21.
What is the InChIKey of (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol?
The InChIKey is NRQZTNSTYSYMDU-UDFNFBFJSA-N. The full InChI is InChI=1S/C25H24O2/c1-17(13-15-19(3)26)25(18(2)14-16-20(4)27)23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,26-27H,1,3H2,2,4H3/b15-13-,18-14+,20-16+.
What are the key properties of (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol?
(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol has a molecular weight of 356.47 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol is sourced from PubChem (CID 144795099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).