3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole

C26H25N — CID 170389500

IUPAC3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole
SMILESC/C=C\C=C(/C=C\CC)C1(c2cc[nH]c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N/c1-3-5-11-20(12-6-4-2)26(21-17-18-27-19-21)24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h3,5-19,27H,4H2,1-2H3/b5-3-,12-6-,20-11+
InChIKeyHCSINDGAOCJHDK-IPYHFPIVSA-N
MW351.49 g/mol
LogP6.80
Rot. Bonds5

About 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole

3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole (PubChem CID 170389500) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole.

Molecular Properties

Compound Name3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole
PubChem CID170389500
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole
SMILESC/C=C\C=C(/C=C\CC)C1(c2cc[nH]c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N/c1-3-5-11-20(12-6-4-2)26(21-17-18-27-19-21)24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h3,5-19,27H,4H2,1-2H3/b5-3-,12-6-,20-11+
InChIKeyHCSINDGAOCJHDK-IPYHFPIVSA-N
XLogP6.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole?
The IUPAC name of 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole (CID 170389500) is 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole.
What is the SMILES notation for 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole?
The canonical SMILES for 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole is C/C=C\C=C(/C=C\CC)C1(c2cc[nH]c2)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole?
The InChIKey is HCSINDGAOCJHDK-IPYHFPIVSA-N. The full InChI is InChI=1S/C26H25N/c1-3-5-11-20(12-6-4-2)26(21-17-18-27-19-21)24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h3,5-19,27H,4H2,1-2H3/b5-3-,12-6-,20-11+.
What are the key properties of 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole?
3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole has a molecular weight of 351.49 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole is sourced from PubChem (CID 170389500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).