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

C122H157N11 — CID 161402197

IUPACethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2ccc3cccnc3c2n1.Cc1cccc2c1cnc1ccccc12.Cc1cccc2c1ncc1ccccc12.Cc1ccnc2c1ccc1cccnc12.Cc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/3C14H11N.4C13H10N2.14C2H6/c1-10-5-4-7-11-12-6-2-3-8-14(12)15-9-13(10)11;1-10-5-4-8-13-12-7-3-2-6-11(12)9-15-14(10)13;1-10-6-7-12-11(8-10)9-15-14-5-3-2-4-13(12)14;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;14*1-2/h3*2-9H,1H3;4*2-8H,1H3;14*1-2H3
InChIKeyVUJMPFQJMKAHLI-UHFFFAOYSA-N
MW1777.67 g/mol
LogP37.82
Rot. Bonds

About 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

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 (PubChem CID 161402197) has the molecular formula C122H157N11 and a molecular weight of 1777.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID161402197
Molecular FormulaC122H157N11
Molecular Weight1777.67 g/mol
Exact Mass1776.26
IUPAC Nameethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2ccc3cccnc3c2n1.Cc1cccc2c1cnc1ccccc12.Cc1cccc2c1ncc1ccccc12.Cc1ccnc2c1ccc1cccnc12.Cc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/3C14H11N.4C13H10N2.14C2H6/c1-10-5-4-7-11-12-6-2-3-8-14(12)15-9-13(10)11;1-10-5-4-8-13-12-7-3-2-6-11(12)9-15-14(10)13;1-10-6-7-12-11(8-10)9-15-14-5-3-2-4-13(12)14;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;14*1-2/h3*2-9H,1H3;4*2-8H,1H3;14*1-2H3
InChIKeyVUJMPFQJMKAHLI-UHFFFAOYSA-N
XLogP37.82
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.67
LogP ≤ 537.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
ethane;2-methyl-1,5-naphthyridine;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine;2-methylphenanthridine;3-methylphenanthridine;6-methylphenanthridine;8-methylphenanthridine;9-methylphenanthridine
CID 159182420
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
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
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
CID 175546630
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
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
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2ccc3cccnc3c2n1.Cc1cccc2c1cnc1ccccc12.Cc1cccc2c1ncc1ccccc12.Cc1ccnc2c1ccc1cccnc12.Cc1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 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?
The InChIKey is VUJMPFQJMKAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H11N.4C13H10N2.14C2H6/c1-10-5-4-7-11-12-6-2-3-8-14(12)15-9-13(10)11;1-10-5-4-8-13-12-7-3-2-6-11(12)9-15-14(10)13;1-10-6-7-12-11(8-10)9-15-14-5-3-2-4-13(12)14;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;14*1-2/h3*2-9H,1H3;4*2-8H,1H3;14*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1777.67 g/mol, XLogP of 37.82, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161402197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).