2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]

C27H28 — CID 58805648

IUPAC2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]
SMILESCC1=CCC2C(=C1)C1(C3=CC=CCC3C3C=CC=CC31)C1C=C(C)C=CC21
InChIInChI=1S/C27H28/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27/h3-7,9-13,15-16,19-23,25H,8,14H2,1-2H3
InChIKeyJRTKZPBLUPKPOG-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.50
Rot. Bonds

About 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]

2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene] (PubChem CID 58805648) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene].

Molecular Properties

Compound Name2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]
PubChem CID58805648
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]
SMILESCC1=CCC2C(=C1)C1(C3=CC=CCC3C3C=CC=CC31)C1C=C(C)C=CC21
InChIInChI=1S/C27H28/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27/h3-7,9-13,15-16,19-23,25H,8,14H2,1-2H3
InChIKeyJRTKZPBLUPKPOG-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]?
The IUPAC name of 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene] (CID 58805648) is 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene].
What is the SMILES notation for 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]?
The canonical SMILES for 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene] is CC1=CCC2C(=C1)C1(C3=CC=CCC3C3C=CC=CC31)C1C=C(C)C=CC21.
What is the InChIKey of 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]?
The InChIKey is JRTKZPBLUPKPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27/h3-7,9-13,15-16,19-23,25H,8,14H2,1-2H3.
What are the key properties of 2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene]?
2',7'-dimethyl-9,9'-spirobi[4,4a,4b,8a-tetrahydrofluorene] has a molecular weight of 352.52 g/mol, XLogP of 6.50, 0 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'-spirobi[4,4a,4b,8a-tetrahydrofluorene] is sourced from PubChem (CID 58805648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).