2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene

C25H30 — CID 178181307

IUPAC2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
SMILESC=CCC1(CC=C)c2cc(C(C)C)ccc2-c2ccc(C(C)C)cc21
InChIInChI=1S/C25H30/c1-7-13-25(14-8-2)23-15-19(17(3)4)9-11-21(23)22-12-10-20(18(5)6)16-24(22)25/h7-12,15-18H,1-2,13-14H2,3-6H3
InChIKeyGJGQSJCOOIEUIE-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.35
Rot. Bonds6

About 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene

2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene (PubChem CID 178181307) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
PubChem CID178181307
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
SMILESC=CCC1(CC=C)c2cc(C(C)C)ccc2-c2ccc(C(C)C)cc21
InChIInChI=1S/C25H30/c1-7-13-25(14-8-2)23-15-19(17(3)4)9-11-21(23)22-12-10-20(18(5)6)16-24(22)25/h7-12,15-18H,1-2,13-14H2,3-6H3
InChIKeyGJGQSJCOOIEUIE-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene
CID 178181302
9,9-dibutyl-2,7-di(propan-2-yl)fluorene
CID 153392949
2',7'-di(propan-2-yl)spiro[cyclopentene-4,9'-fluorene]
CID 178181319
2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
CID 90365446
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
CID 130401999
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2,7-dimethyl-9,9-bis[(2E)-penta-2,4-dienyl]fluorene
CID 58282088
2,7-dibromo-9,9-bis(2-methylpropyl)fluorene
CID 22340866
2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]
CID 170534798
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
5-propan-2-yl-1'-prop-2-enylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 143074032

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
The IUPAC name of 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene (CID 178181307) is 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene.
What is the SMILES notation for 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
The canonical SMILES for 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene is C=CCC1(CC=C)c2cc(C(C)C)ccc2-c2ccc(C(C)C)cc21.
What is the InChIKey of 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
The InChIKey is GJGQSJCOOIEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-7-13-25(14-8-2)23-15-19(17(3)4)9-11-21(23)22-12-10-20(18(5)6)16-24(22)25/h7-12,15-18H,1-2,13-14H2,3-6H3.
What are the key properties of 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene has a molecular weight of 330.52 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene is sourced from PubChem (CID 178181307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).