5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline

C91H73N9 — CID 157326045

IUPAC5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
SMILESCc1c(-c2ccccc2)ncc2ccccc12.Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc(-c2ccccc2)nc2ccccc12.Cc1cc2cccnc2c2ncccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/3C16H13N.2C15H12N2.C13H10N2/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13;1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h3*2-11H,1H3;2*2-10H,1H3;2-8H,1H3
InChIKeyBESPOQYXGAGQJJ-UHFFFAOYSA-N
MW1292.65 g/mol
LogP22.93
Rot. Bonds5

About 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline

5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline (PubChem CID 157326045) has the molecular formula C91H73N9 and a molecular weight of 1292.65 g/mol. Its IUPAC name is 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline.

Molecular Properties

Compound Name5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
PubChem CID157326045
Molecular FormulaC91H73N9
Molecular Weight1292.65 g/mol
Exact Mass1291.60
IUPAC Name5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
SMILESCc1c(-c2ccccc2)ncc2ccccc12.Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc(-c2ccccc2)nc2ccccc12.Cc1cc2cccnc2c2ncccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/3C16H13N.2C15H12N2.C13H10N2/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13;1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h3*2-11H,1H3;2*2-10H,1H3;2-8H,1H3
InChIKeyBESPOQYXGAGQJJ-UHFFFAOYSA-N
XLogP22.93
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.65
LogP ≤ 522.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline 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-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
CID 159423893
2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-phenyl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)quinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline;8-(4-methylphenyl)quinoline
CID 158028416
2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline
CID 161071912
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline
CID 139516694
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
CID 163451180
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine
CID 161221343
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
CID 158618516
5-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 159356699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
The IUPAC name of 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline (CID 157326045) is 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline.
What is the SMILES notation for 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
The canonical SMILES for 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline is Cc1c(-c2ccccc2)ncc2ccccc12.Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc(-c2ccccc2)nc2ccccc12.Cc1cc2cccnc2c2ncccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
The InChIKey is BESPOQYXGAGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H13N.2C15H12N2.C13H10N2/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13;1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h3*2-11H,1H3;2*2-10H,1H3;2-8H,1H3.
What are the key properties of 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline has a molecular weight of 1292.65 g/mol, XLogP of 22.93, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline is sourced from PubChem (CID 157326045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).