2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline

C20H18N2 — CID 170055106

IUPAC2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline
SMILESCc1cc2c(c(C)n1)CCc1c-2ccnc1-c1ccccc1
InChIInChI=1S/C20H18N2/c1-13-12-19-16(14(2)22-13)8-9-18-17(19)10-11-21-20(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeySCRSPKJBSQLDQF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.53
Rot. Bonds1

About 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline

2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline (PubChem CID 170055106) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline.

Molecular Properties

Compound Name2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline
PubChem CID170055106
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline
SMILESCc1cc2c(c(C)n1)CCc1c-2ccnc1-c1ccccc1
InChIInChI=1S/C20H18N2/c1-13-12-19-16(14(2)22-13)8-9-18-17(19)10-11-21-20(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeySCRSPKJBSQLDQF-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline 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 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline?
The IUPAC name of 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline (CID 170055106) is 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline.
What is the SMILES notation for 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline?
The canonical SMILES for 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline is Cc1cc2c(c(C)n1)CCc1c-2ccnc1-c1ccccc1.
What is the InChIKey of 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline?
The InChIKey is SCRSPKJBSQLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-13-12-19-16(14(2)22-13)8-9-18-17(19)10-11-21-20(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline?
2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline has a molecular weight of 286.38 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-phenyl-5,6-dihydro-3,8-phenanthroline is sourced from PubChem (CID 170055106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).