2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene

C25H26 — CID 58282088

IUPAC2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene
SMILESC=C/C=C/CC1(C/C=C/C=C)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C25H26/c1-5-7-9-15-25(16-10-8-6-2)23-17-19(3)11-13-21(23)22-14-12-20(4)18-24(22)25/h5-14,17-18H,1-2,15-16H2,3-4H3/b9-7+,10-8+
InChIKeyNMADQMYSPMHIAF-FIFLTTCUSA-N
MW326.48 g/mol
LogP6.83
Rot. Bonds6

About 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene

2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene (PubChem CID 58282088) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene.

Molecular Properties

Compound Name2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene
PubChem CID58282088
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene
SMILESC=C/C=C/CC1(C/C=C/C=C)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C25H26/c1-5-7-9-15-25(16-10-8-6-2)23-17-19(3)11-13-21(23)22-14-12-20(4)18-24(22)25/h5-14,17-18H,1-2,15-16H2,3-4H3/b9-7+,10-8+
InChIKeyNMADQMYSPMHIAF-FIFLTTCUSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]-2-methyl-9-[(2Z)-penta-2,4-dienyl]fluorene
CID 142481380
2,7,9,9-tetramethylfluorene
CID 22951928
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
9,9-bis(azidomethyl)-2,7-dimethylfluorene
CID 118552963
2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene
CID 135164402
2,7-dimethyl-9-[3-[(5E)-octa-5,7-dienyl]phenyl]-9-[3-[(2E)-penta-2,4-dienyl]phenyl]fluorene
CID 123493636
9,9-difluoro-2,7-dimethylfluorene
CID 58776367
9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene
CID 59027602
[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol
CID 134368482
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene?
The IUPAC name of 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene (CID 58282088) is 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene.
What is the SMILES notation for 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene?
The canonical SMILES for 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene is C=C/C=C/CC1(C/C=C/C=C)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene?
The InChIKey is NMADQMYSPMHIAF-FIFLTTCUSA-N. The full InChI is InChI=1S/C25H26/c1-5-7-9-15-25(16-10-8-6-2)23-17-19(3)11-13-21(23)22-14-12-20(4)18-24(22)25/h5-14,17-18H,1-2,15-16H2,3-4H3/b9-7+,10-8+.
What are the key properties of 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene?
2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene has a molecular weight of 326.48 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene is sourced from PubChem (CID 58282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).