1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]

C23H26 — CID 123782833

IUPAC1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]
SMILESCC1=C(C)C(C)(C)C2(c3ccccc3-c3ccccc32)C1(C)C
InChIInChI=1S/C23H26/c1-15-16(2)22(5,6)23(21(15,3)4)19-13-9-7-11-17(19)18-12-8-10-14-20(18)23/h7-14H,1-6H3
InChIKeyRCZNXWJCTUYEHT-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.36
Rot. Bonds

About 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]

1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene] (PubChem CID 123782833) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene].

Molecular Properties

Compound Name1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]
PubChem CID123782833
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]
SMILESCC1=C(C)C(C)(C)C2(c3ccccc3-c3ccccc32)C1(C)C
InChIInChI=1S/C23H26/c1-15-16(2)22(5,6)23(21(15,3)4)19-13-9-7-11-17(19)18-12-8-10-14-20(18)23/h7-14H,1-6H3
InChIKeyRCZNXWJCTUYEHT-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.36
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

1,1,3,3-tetramethylspiro[cyclobutane-2,9'-fluorene]
CID 153467797
ethane;9-fluoro-9-methylfluorene
CID 163249751
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659
ethane;1,1,2,3-tetramethylindene
CID 90797870
methane;9-methylfluoren-9-ol
CID 160708378
3-methylspiro[azirine-2,9'-fluorene]
CID 13480601
9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
CID 142961405
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
9-(difluoromethyl)-9-methylfluorene
CID 138967571
ethane;9-methoxy-9-methylfluorene
CID 91285741
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
CID 158336638
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
CID 86051025

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]?
The IUPAC name of 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene] (CID 123782833) is 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene].
What is the SMILES notation for 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]?
The canonical SMILES for 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene] is CC1=C(C)C(C)(C)C2(c3ccccc3-c3ccccc32)C1(C)C.
What is the InChIKey of 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]?
The InChIKey is RCZNXWJCTUYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-15-16(2)22(5,6)23(21(15,3)4)19-13-9-7-11-17(19)18-12-8-10-14-20(18)23/h7-14H,1-6H3.
What are the key properties of 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]?
1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene] has a molecular weight of 302.46 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene] is sourced from PubChem (CID 123782833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).