(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal

C25H26O — CID 144597281

IUPAC(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal
SMILESC/C=C(C)\C=C/c1ccc2c(c1)C(C)(C)c1ccc(/C=C(\C)C=O)cc1-2
InChIInChI=1S/C25H26O/c1-6-17(2)7-8-19-9-11-21-22-14-20(13-18(3)16-26)10-12-23(22)25(4,5)24(21)15-19/h6-16H,1-5H3/b8-7-,17-6-,18-13+
InChIKeyJEGDIDDAYHXAFS-CDQKRWFVSA-N
MW342.48 g/mol
LogP6.57
Rot. Bonds4

About (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal

(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal (PubChem CID 144597281) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal.

Molecular Properties

Compound Name(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal
PubChem CID144597281
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal
SMILESC/C=C(C)\C=C/c1ccc2c(c1)C(C)(C)c1ccc(/C=C(\C)C=O)cc1-2
InChIInChI=1S/C25H26O/c1-6-17(2)7-8-19-9-11-21-22-14-20(13-18(3)16-26)10-12-23(22)25(4,5)24(21)15-19/h6-16H,1-5H3/b8-7-,17-6-,18-13+
InChIKeyJEGDIDDAYHXAFS-CDQKRWFVSA-N
XLogP6.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal;2,3-dimethylnaphthalene;ethylbenzene;formaldehyde;propane;toluene
CID 144597280
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
CID 20593657
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine
CID 143938134
9,9-dimethylfluorene-2,6-diamine
CID 156512652
(Z)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enal
CID 131352523
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175

Frequently Asked Questions

What is the IUPAC name of (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal?
The IUPAC name of (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal (CID 144597281) is (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal.
What is the SMILES notation for (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal?
The canonical SMILES for (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal is C/C=C(C)\C=C/c1ccc2c(c1)C(C)(C)c1ccc(/C=C(\C)C=O)cc1-2.
What is the InChIKey of (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal?
The InChIKey is JEGDIDDAYHXAFS-CDQKRWFVSA-N. The full InChI is InChI=1S/C25H26O/c1-6-17(2)7-8-19-9-11-21-22-14-20(13-18(3)16-26)10-12-23(22)25(4,5)24(21)15-19/h6-16H,1-5H3/b8-7-,17-6-,18-13+.
What are the key properties of (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal?
(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal has a molecular weight of 342.48 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal is sourced from PubChem (CID 144597281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).