bis(9H-fluorene);methane;pentane

C32H36 — CID 158815702

IUPACbis(9H-fluorene);methane;pentane
SMILESC.CCCCC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C5H12.CH4/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-5-4-2;/h2*1-8H,9H2;3-5H2,1-2H3;1H4
InChIKeyIVFWJFRTYDCXLE-UHFFFAOYSA-N
MW420.64 g/mol
LogP9.35
Rot. Bonds2

About bis(9H-fluorene);methane;pentane

bis(9H-fluorene);methane;pentane (PubChem CID 158815702) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is bis(9H-fluorene);methane;pentane.

Molecular Properties

Compound Namebis(9H-fluorene);methane;pentane
PubChem CID158815702
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Namebis(9H-fluorene);methane;pentane
SMILESC.CCCCC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C5H12.CH4/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-5-4-2;/h2*1-8H,9H2;3-5H2,1-2H3;1H4
InChIKeyIVFWJFRTYDCXLE-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(9H-fluorene);methane;pentane 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 bis(9H-fluorene);methane;pentane?
The IUPAC name of bis(9H-fluorene);methane;pentane (CID 158815702) is bis(9H-fluorene);methane;pentane.
What is the SMILES notation for bis(9H-fluorene);methane;pentane?
The canonical SMILES for bis(9H-fluorene);methane;pentane is C.CCCCC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(9H-fluorene);methane;pentane?
The InChIKey is IVFWJFRTYDCXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10.C5H12.CH4/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-5-4-2;/h2*1-8H,9H2;3-5H2,1-2H3;1H4.
What are the key properties of bis(9H-fluorene);methane;pentane?
bis(9H-fluorene);methane;pentane has a molecular weight of 420.64 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluorene);methane;pentane is sourced from PubChem (CID 158815702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).