6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]

C31H26 — CID 162273296

IUPAC6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]
SMILESc1ccc(Cc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)C2CCCC32)cc1
InChIInChI=1S/C31H26/c1-2-9-21(10-3-1)19-22-17-18-26-25-13-8-16-29(25)31(30(26)20-22)27-14-6-4-11-23(27)24-12-5-7-15-28(24)31/h1-7,9-12,14-15,17-18,20,25,29H,8,13,16,19H2
InChIKeySBYXSGKCJWCHLM-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.49
Rot. Bonds2

About 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]

6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene] (PubChem CID 162273296) has the molecular formula C31H26 and a molecular weight of 398.55 g/mol. Its IUPAC name is 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene].

Molecular Properties

Compound Name6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]
PubChem CID162273296
Molecular FormulaC31H26
Molecular Weight398.55 g/mol
Exact Mass398.20
IUPAC Name6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]
SMILESc1ccc(Cc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)C2CCCC32)cc1
InChIInChI=1S/C31H26/c1-2-9-21(10-3-1)19-22-17-18-26-25-13-8-16-29(25)31(30(26)20-22)27-14-6-4-11-23(27)24-12-5-7-15-28(24)31/h1-7,9-12,14-15,17-18,20,25,29H,8,13,16,19H2
InChIKeySBYXSGKCJWCHLM-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene] 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 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]?
The IUPAC name of 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene] (CID 162273296) is 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene].
What is the SMILES notation for 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]?
The canonical SMILES for 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene] is c1ccc(Cc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)C2CCCC32)cc1.
What is the InChIKey of 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]?
The InChIKey is SBYXSGKCJWCHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26/c1-2-9-21(10-3-1)19-22-17-18-26-25-13-8-16-29(25)31(30(26)20-22)27-14-6-4-11-23(27)24-12-5-7-15-28(24)31/h1-7,9-12,14-15,17-18,20,25,29H,8,13,16,19H2.
What are the key properties of 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]?
6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene] has a molecular weight of 398.55 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene] is sourced from PubChem (CID 162273296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).