1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene

C26H34 — CID 19077895

IUPAC1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene
SMILESC1=CC2CC3C(CCCC3C3CCCC4C5C=CC=CC5CC43)C2C=C1
InChIInChI=1S/C26H34/c1-3-9-19-17(7-1)15-25-21(19)11-5-13-23(25)24-14-6-12-22-20-10-4-2-8-18(20)16-26(22)24/h1-4,7-10,17-26H,5-6,11-16H2
InChIKeyFCXHBXIIDZTQSN-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.58
Rot. Bonds1

About 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene

1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene (PubChem CID 19077895) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene.

Molecular Properties

Compound Name1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene
PubChem CID19077895
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene
SMILESC1=CC2CC3C(CCCC3C3CCCC4C5C=CC=CC5CC43)C2C=C1
InChIInChI=1S/C26H34/c1-3-9-19-17(7-1)15-25-21(19)11-5-13-23(25)24-14-6-12-22-20-10-4-2-8-18(20)16-26(22)24/h1-4,7-10,17-26H,5-6,11-16H2
InChIKeyFCXHBXIIDZTQSN-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene with MolForge

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

Launch Full Analysis

Related Compounds

1,2,7,8,13,14,15,21-Octamethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-3,5,9,11,16,18-hexaene
CID 23436673
Tetracyclo[6.6.1.0(2,7).0(9,14)]pentadeca-4,11-diene
CID 556732
Tetracyclo[6.2.2.13,6.02,7]trideca-4,9-diene
CID 85138481
CID 11039644
CID 11039644
CID 85376790
CID 85376790
Hexahydro-1,4-methanonaphthalene
CID 129880772
(1R,2S,11R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-3,9-diene
CID 134857369
CID 134903121
CID 134903121
CID 134991705
CID 134991705
CID 134991793
CID 134991793
CID 134991935
CID 134991935
CID 134992472
CID 134992472

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene?
The IUPAC name of 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene (CID 19077895) is 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene.
What is the SMILES notation for 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene?
The canonical SMILES for 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene is C1=CC2CC3C(CCCC3C3CCCC4C5C=CC=CC5CC43)C2C=C1.
What is the InChIKey of 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene?
The InChIKey is FCXHBXIIDZTQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-3-9-19-17(7-1)15-25-21(19)11-5-13-23(25)24-14-6-12-22-20-10-4-2-8-18(20)16-26(22)24/h1-4,7-10,17-26H,5-6,11-16H2.
What are the key properties of 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene?
1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene has a molecular weight of 346.56 g/mol, XLogP of 6.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene is sourced from PubChem (CID 19077895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).