3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene

C25H30 — CID 163303664

IUPAC3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene
SMILESCC(C)=C=C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C25H30/c1-16(2)13-21-19-11-9-17(24(3,4)5)14-22(19)23-15-18(25(6,7)8)10-12-20(21)23/h9-12,14-15H,1-8H3
InChIKeyAVSWKEBEIRRCTE-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.26
Rot. Bonds

About 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene

3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene (PubChem CID 163303664) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene
PubChem CID163303664
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene
SMILESCC(C)=C=C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C25H30/c1-16(2)13-21-19-11-9-17(24(3,4)5)14-22(19)23-15-18(25(6,7)8)10-12-20(21)23/h9-12,14-15H,1-8H3
InChIKeyAVSWKEBEIRRCTE-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,10-ditert-butyltetraphenylene
CID 159208403
3,6-ditert-butyl-N-methylfluoren-9-imine
CID 163743423
2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile
CID 88942701
2,7-ditert-butyl-9H-fluorene-9-carbodithioic acid
CID 86018504
2,7-ditert-butyl-5,5-dimethyldibenzothiophene
CID 170136237
4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
3,7-ditert-butyl-5H-benzo[b][1]benzosilole
CID 101350159
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807
3,9-ditert-butyl-5,7-dihydroxybenzo[d][2,1,3]benzoxadiborepine
CID 145348638
2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
CID 52936811
bis(2-(4-tert-butylphenyl)biphenylene);phosphinous acid
CID 67686837

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene?
The IUPAC name of 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene (CID 163303664) is 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene.
What is the SMILES notation for 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene?
The canonical SMILES for 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene is CC(C)=C=C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene?
The InChIKey is AVSWKEBEIRRCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-16(2)13-21-19-11-9-17(24(3,4)5)14-22(19)23-15-18(25(6,7)8)10-12-20(21)23/h9-12,14-15H,1-8H3.
What are the key properties of 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene?
3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene has a molecular weight of 330.52 g/mol, XLogP of 7.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene is sourced from PubChem (CID 163303664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).