2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline

C106H99N13 — CID 158018927

IUPAC2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
SMILESCc1cc2ccc3c(C)ccnc3c2nc1C.Cc1ccc2cc3cc(C)c(C)cc3nc2c1.Cc1ccc2ccc3c(C)c(C)cnc3c2n1.Cc1ccc2ccc3cc(C)c(C)nc3c2n1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1.Cc1cnc2c(ccc3c(C)ccnc32)c1C.Cc1cnc2c(ccc3cc(C)c(C)nc32)c1
InChIInChI=1S/C16H15N.6C15H14N2/c1-10-4-5-13-9-14-7-11(2)12(3)8-16(14)17-15(13)6-10;1-9-6-12-4-5-13-7-10(2)11(3)17-15(13)14(12)16-8-9;1-9-6-12-4-5-13-11(3)10(2)8-17-15(13)14(12)16-7-9;1-9-8-16-15-13(11(9)3)7-6-12-5-4-10(2)17-14(12)15;1-9-8-13-7-6-12-5-4-10(2)16-14(12)15(13)17-11(9)3;1-9-6-7-16-14-12(9)4-5-13-11(3)10(2)8-17-15(13)14;1-9-6-7-16-15-13(9)5-4-12-8-10(2)11(3)17-14(12)15/h4-9H,1-3H3;6*4-8H,1-3H3
InChIKeyFFVBAIZVGSAJDC-UHFFFAOYSA-N
MW1555.05 g/mol
LogP26.56
Rot. Bonds

About 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline

2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline (PubChem CID 158018927) has the molecular formula C106H99N13 and a molecular weight of 1555.05 g/mol. Its IUPAC name is 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
PubChem CID158018927
Molecular FormulaC106H99N13
Molecular Weight1555.05 g/mol
Exact Mass1553.81
IUPAC Name2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
SMILESCc1cc2ccc3c(C)ccnc3c2nc1C.Cc1ccc2cc3cc(C)c(C)cc3nc2c1.Cc1ccc2ccc3c(C)c(C)cnc3c2n1.Cc1ccc2ccc3cc(C)c(C)nc3c2n1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1.Cc1cnc2c(ccc3c(C)ccnc32)c1C.Cc1cnc2c(ccc3cc(C)c(C)nc32)c1
InChIInChI=1S/C16H15N.6C15H14N2/c1-10-4-5-13-9-14-7-11(2)12(3)8-16(14)17-15(13)6-10;1-9-6-12-4-5-13-7-10(2)11(3)17-15(13)14(12)16-8-9;1-9-6-12-4-5-13-11(3)10(2)8-17-15(13)14(12)16-7-9;1-9-8-16-15-13(11(9)3)7-6-12-5-4-10(2)17-14(12)15;1-9-8-13-7-6-12-5-4-10(2)16-14(12)15(13)17-11(9)3;1-9-6-7-16-14-12(9)4-5-13-11(3)10(2)8-17-15(13)14;1-9-6-7-16-15-13(9)5-4-12-8-10(2)11(3)17-14(12)15/h4-9H,1-3H3;6*4-8H,1-3H3
InChIKeyFFVBAIZVGSAJDC-UHFFFAOYSA-N
XLogP26.56
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.05
LogP ≤ 526.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline with MolForge

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Related Compounds

2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;methane
CID 160893139
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
CID 175546630
2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;2,3,4-trimethylquinoline;2,3,5-trimethylquinoline;2,3,6-trimethylquinoline;2,3,7-trimethylquinoline;2,3,8-trimethylquinoline;3,4,5-trimethylquinoline;3,4,6-trimethylquinoline;3,4,7-trimethylquinoline;2,3,5-trimethylquinoxaline;2,3,6-trimethylquinoxaline;2,6,7-trimethylquinoxaline;5,6,7-trimethylquinoxaline;5,6,8-trimethylquinoxaline
CID 161372970
2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 159458035
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161472267
2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159538435
3,4,7-trimethyl-8-[2-(8-methyl-1,10-phenanthrolin-3-yl)ethyl]-1,10-phenanthroline
CID 123787432
2,4,7,8-tetramethyl-1,10-phenanthroline
CID 10108527
2-(3,4-dimethylphenyl)-6-(3-methylphenyl)pyrazine;2-(3,4-dimethylphenyl)-6-(4-methylphenyl)pyrazine;2-(3,4-dimethylphenyl)-6-(2-methylphenyl)pyridine;2-(3,4-dimethylphenyl)-6-(3-methylphenyl)pyridine;2-(3,4-dimethylphenyl)-6-(4-methylphenyl)pyridine;2-(3,4-dimethylphenyl)-4-(4-methylphenyl)pyrimidine;2,3,9-trimethyl-1,10-phenanthroline;2,3,7-trimethylquinoline
CID 161480527
ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
CID 158740820
3,8-dimethyl-1,10-phenanthroline
CID 159392628

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline?
The IUPAC name of 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline (CID 158018927) is 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline.
What is the SMILES notation for 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline?
The canonical SMILES for 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline is Cc1cc2ccc3c(C)ccnc3c2nc1C.Cc1ccc2cc3cc(C)c(C)cc3nc2c1.Cc1ccc2ccc3c(C)c(C)cnc3c2n1.Cc1ccc2ccc3cc(C)c(C)nc3c2n1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1.Cc1cnc2c(ccc3c(C)ccnc32)c1C.Cc1cnc2c(ccc3cc(C)c(C)nc32)c1.
What is the InChIKey of 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline?
The InChIKey is FFVBAIZVGSAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.6C15H14N2/c1-10-4-5-13-9-14-7-11(2)12(3)8-16(14)17-15(13)6-10;1-9-6-12-4-5-13-7-10(2)11(3)17-15(13)14(12)16-8-9;1-9-6-12-4-5-13-11(3)10(2)8-17-15(13)14(12)16-7-9;1-9-8-16-15-13(11(9)3)7-6-12-5-4-10(2)17-14(12)15;1-9-8-13-7-6-12-5-4-10(2)16-14(12)15(13)17-11(9)3;1-9-6-7-16-14-12(9)4-5-13-11(3)10(2)8-17-15(13)14;1-9-6-7-16-15-13(9)5-4-12-8-10(2)11(3)17-14(12)15/h4-9H,1-3H3;6*4-8H,1-3H3.
What are the key properties of 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline?
2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline has a molecular weight of 1555.05 g/mol, XLogP of 26.56, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline is sourced from PubChem (CID 158018927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).