9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene

C24H24 — CID 136835539

IUPAC9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene
SMILESCC1=CC2=C(c3ccccc3C(C)(C)C)c3ccccc3C2C=C1
InChIInChI=1S/C24H24/c1-16-13-14-18-17-9-5-6-10-19(17)23(21(18)15-16)20-11-7-8-12-22(20)24(2,3)4/h5-15,18H,1-4H3
InChIKeyDXUNVLNZPZOSMI-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.40
Rot. Bonds1

About 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene

9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene (PubChem CID 136835539) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene.

Molecular Properties

Compound Name9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene
PubChem CID136835539
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene
SMILESCC1=CC2=C(c3ccccc3C(C)(C)C)c3ccccc3C2C=C1
InChIInChI=1S/C24H24/c1-16-13-14-18-17-9-5-6-10-19(17)23(21(18)15-16)20-11-7-8-12-22(20)24(2,3)4/h5-15,18H,1-4H3
InChIKeyDXUNVLNZPZOSMI-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene?
The IUPAC name of 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene (CID 136835539) is 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene.
What is the SMILES notation for 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene?
The canonical SMILES for 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene is CC1=CC2=C(c3ccccc3C(C)(C)C)c3ccccc3C2C=C1.
What is the InChIKey of 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene?
The InChIKey is DXUNVLNZPZOSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-16-13-14-18-17-9-5-6-10-19(17)23(21(18)15-16)20-11-7-8-12-22(20)24(2,3)4/h5-15,18H,1-4H3.
What are the key properties of 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene?
9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene has a molecular weight of 312.46 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butylphenyl)-2-methyl-4aH-fluorene is sourced from PubChem (CID 136835539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).