9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

C26H32 — CID 140505234

IUPAC9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESc1ccc(C2C3CCCCC3C(c3ccccc3)C3CCCCC32)cc1
InChIInChI=1S/C26H32/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-6,11-14,21-26H,7-10,15-18H2
InChIKeyYLQHKENDXMSSCO-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.18
Rot. Bonds2

About 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (PubChem CID 140505234) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.

Molecular Properties

Compound Name9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
PubChem CID140505234
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESc1ccc(C2C3CCCCC3C(c3ccccc3)C3CCCCC32)cc1
InChIInChI=1S/C26H32/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-6,11-14,21-26H,7-10,15-18H2
InChIKeyYLQHKENDXMSSCO-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene 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

copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173350191
7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 3264055
5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane
CID 123405256
cyclopentylbenzene;iron
CID 158512704
(3R,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 13148720
CID 159076923
CID 159076923
carbanide;iron(2+);methylcyclopentane;(2-methyl-3,4,5-triphenylcyclopentyl)benzene
CID 162297288
(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
CID 98158916
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclohexyl(phenyl)iodanium
CID 87308360
(1S,3aR,7aS)-1-phenyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene
CID 7115008
17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
CID 90832603

Frequently Asked Questions

What is the IUPAC name of 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The IUPAC name of 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (CID 140505234) is 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.
What is the SMILES notation for 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The canonical SMILES for 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is c1ccc(C2C3CCCCC3C(c3ccccc3)C3CCCCC32)cc1.
What is the InChIKey of 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The InChIKey is YLQHKENDXMSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-6,11-14,21-26H,7-10,15-18H2.
What are the key properties of 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene has a molecular weight of 344.54 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is sourced from PubChem (CID 140505234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).