1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline

C36H29N — CID 158871670

IUPAC1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2Cc1cccc2c1-c1ccccc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C36H29N/c1-5-17-30-26(12-1)23-27-13-2-6-18-31(27)36(30)32-19-7-4-16-29(32)35-28(14-9-20-33(35)36)24-37-22-10-15-25-11-3-8-21-34(25)37/h1-9,11-14,16-21H,10,15,22-24H2
InChIKeyOIEZHDJTGFOMGF-UHFFFAOYSA-N
MW475.64 g/mol
LogP7.91
Rot. Bonds2

About 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline

1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 158871670) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID158871670
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC Name1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2Cc1cccc2c1-c1ccccc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C36H29N/c1-5-17-30-26(12-1)23-27-13-2-6-18-31(27)36(30)32-19-7-4-16-29(32)35-28(14-9-20-33(35)36)24-37-22-10-15-25-11-3-8-21-34(25)37/h1-9,11-14,16-21H,10,15,22-24H2
InChIKeyOIEZHDJTGFOMGF-UHFFFAOYSA-N
XLogP7.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline 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 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline (CID 158871670) is 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2Cc1cccc2c1-c1ccccc1C21c2ccccc2Cc2ccccc21.
What is the InChIKey of 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is OIEZHDJTGFOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N/c1-5-17-30-26(12-1)23-27-13-2-6-18-31(27)36(30)32-19-7-4-16-29(32)35-28(14-9-20-33(35)36)24-37-22-10-15-25-11-3-8-21-34(25)37/h1-9,11-14,16-21H,10,15,22-24H2.
What are the key properties of 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline?
1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 475.64 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158871670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).