3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene

C32H24 — CID 123734144

IUPAC3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene
SMILESCc1c2ccccc2c(C)c2cc(C3=CCc4ccc5c6c(ccc3c46)CC=C5)ccc12
InChIInChI=1S/C32H24/c1-19-25-8-3-4-9-26(25)20(2)30-18-24(14-15-27(19)30)28-16-12-23-11-10-21-6-5-7-22-13-17-29(28)32(23)31(21)22/h3-6,8-11,13-18H,7,12H2,1-2H3
InChIKeyDDQOQLHYQCUAAK-UHFFFAOYSA-N
MW408.54 g/mol
LogP8.32
Rot. Bonds1

About 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene

3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene (PubChem CID 123734144) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene.

Molecular Properties

Compound Name3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene
PubChem CID123734144
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Name3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene
SMILESCc1c2ccccc2c(C)c2cc(C3=CCc4ccc5c6c(ccc3c46)CC=C5)ccc12
InChIInChI=1S/C32H24/c1-19-25-8-3-4-9-26(25)20(2)30-18-24(14-15-27(19)30)28-16-12-23-11-10-21-6-5-7-22-13-17-29(28)32(23)31(21)22/h3-6,8-11,13-18H,7,12H2,1-2H3
InChIKeyDDQOQLHYQCUAAK-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene 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

6-(6H-phenalen-1-yl)-1H-phenalene
CID 132501427
3,6-dihydropyrene-1-carboxylic acid
CID 134381149
1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium
CID 153428672
2'-(6-spiro[cyclooctane-1,9'-fluorene]-2'-yl-1,8-dihydropyren-1-yl)spiro[cyclooctane-1,9'-fluorene]
CID 58814382
2-(4,6-dihydropyren-1-yl)-8-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758533
2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
CID 58489360
2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene
CID 123551842
1H-indene;methane
CID 22114429
1H-indene;methane
CID 157370172
2-tert-butyl-1,6-dihydropyrene
CID 164779934
2-(3,8-dihydropyren-4-yl)-12-pyren-1-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 171053050
2-(1H-inden-5-yl)-9H-fluorene
CID 145186106

Frequently Asked Questions

What is the IUPAC name of 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene?
The IUPAC name of 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene (CID 123734144) is 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene.
What is the SMILES notation for 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene?
The canonical SMILES for 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene is Cc1c2ccccc2c(C)c2cc(C3=CCc4ccc5c6c(ccc3c46)CC=C5)ccc12.
What is the InChIKey of 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene?
The InChIKey is DDQOQLHYQCUAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24/c1-19-25-8-3-4-9-26(25)20(2)30-18-24(14-15-27(19)30)28-16-12-23-11-10-21-6-5-7-22-13-17-29(28)32(23)31(21)22/h3-6,8-11,13-18H,7,12H2,1-2H3.
What are the key properties of 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene?
3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene has a molecular weight of 408.54 g/mol, XLogP of 8.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene is sourced from PubChem (CID 123734144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).