2,5-dimethyl-12-phenyltetracene

C52H40 — CID 160669382

IUPAC2,5-dimethyl-12-phenyltetracene
SMILESCc1ccc2c(C)c3cc4ccccc4cc3c(-c3ccccc3)c2c1.Cc1ccc2c(C)c3cc4ccccc4cc3c(-c3ccccc3)c2c1
InChIInChI=1S/2C26H20/c2*1-17-12-13-22-18(2)23-15-20-10-6-7-11-21(20)16-25(23)26(24(22)14-17)19-8-4-3-5-9-19/h2*3-16H,1-2H3
InChIKeyRMSPCLILGAWOJG-UHFFFAOYSA-N
MW664.89 g/mol
LogP14.86
Rot. Bonds2

About 2,5-dimethyl-12-phenyltetracene

2,5-dimethyl-12-phenyltetracene (PubChem CID 160669382) has the molecular formula C52H40 and a molecular weight of 664.89 g/mol. Its IUPAC name is 2,5-dimethyl-12-phenyltetracene.

Molecular Properties

Compound Name2,5-dimethyl-12-phenyltetracene
PubChem CID160669382
Molecular FormulaC52H40
Molecular Weight664.89 g/mol
Exact Mass664.31
IUPAC Name2,5-dimethyl-12-phenyltetracene
SMILESCc1ccc2c(C)c3cc4ccccc4cc3c(-c3ccccc3)c2c1.Cc1ccc2c(C)c3cc4ccccc4cc3c(-c3ccccc3)c2c1
InChIInChI=1S/2C26H20/c2*1-17-12-13-22-18(2)23-15-20-10-6-7-11-21(20)16-25(23)26(24(22)14-17)19-8-4-3-5-9-19/h2*3-16H,1-2H3
InChIKeyRMSPCLILGAWOJG-UHFFFAOYSA-N
XLogP14.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.89
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-12-phenyltetracene 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

2,9-dimethyl-10-phenylanthracene
CID 58435289
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
9-chloro-2,6-dimethyl-10-phenylanthracene
CID 58351152
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene
CID 91269159
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
6,13-dimethylpentacene;ethane
CID 123724624
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-12-phenyltetracene?
The IUPAC name of 2,5-dimethyl-12-phenyltetracene (CID 160669382) is 2,5-dimethyl-12-phenyltetracene.
What is the SMILES notation for 2,5-dimethyl-12-phenyltetracene?
The canonical SMILES for 2,5-dimethyl-12-phenyltetracene is Cc1ccc2c(C)c3cc4ccccc4cc3c(-c3ccccc3)c2c1.Cc1ccc2c(C)c3cc4ccccc4cc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2,5-dimethyl-12-phenyltetracene?
The InChIKey is RMSPCLILGAWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20/c2*1-17-12-13-22-18(2)23-15-20-10-6-7-11-21(20)16-25(23)26(24(22)14-17)19-8-4-3-5-9-19/h2*3-16H,1-2H3.
What are the key properties of 2,5-dimethyl-12-phenyltetracene?
2,5-dimethyl-12-phenyltetracene has a molecular weight of 664.89 g/mol, XLogP of 14.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-12-phenyltetracene is sourced from PubChem (CID 160669382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).