8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline

C28H35N — CID 90742429

IUPAC8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1CC2CC3CCCNC3CC2C1CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H35N/c1-18-15-20-16-19-7-6-14-29-28(19)17-27(20)21(18)12-13-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-5,8-11,18-21,26-29H,6-7,12-17H2,1H3
InChIKeyNWKSVAJSMVHPEA-UHFFFAOYSA-N
MW385.60 g/mol
LogP6.63
Rot. Bonds3

About 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline

8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (PubChem CID 90742429) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
PubChem CID90742429
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC Name8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1CC2CC3CCCNC3CC2C1CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H35N/c1-18-15-20-16-19-7-6-14-29-28(19)17-27(20)21(18)12-13-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-5,8-11,18-21,26-29H,6-7,12-17H2,1H3
InChIKeyNWKSVAJSMVHPEA-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]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 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The IUPAC name of 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (CID 90742429) is 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.
What is the SMILES notation for 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The canonical SMILES for 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is CC1CC2CC3CCCNC3CC2C1CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The InChIKey is NWKSVAJSMVHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-18-15-20-16-19-7-6-14-29-28(19)17-27(20)21(18)12-13-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-5,8-11,18-21,26-29H,6-7,12-17H2,1H3.
What are the key properties of 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline has a molecular weight of 385.60 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(9H-fluoren-9-yl)ethyl]-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is sourced from PubChem (CID 90742429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).