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

C123H157N11 — CID 159182420

IUPACethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1ccccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2cnc3ccccc3c2c1.Cc1ccc2ncc3ccccc3c2c1.Cc1ccc2ncccc2n1.Cc1ccnc2cccnc12.Cc1cnc2cccnc2c1.Cc1nc2ccccc2c2ccccc12
InChIInChI=1S/5C14H11N.3C9H8N2.13C2H6/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;1-10-6-7-12-11(8-10)9-15-14-5-3-2-4-13(12)14;1-10-6-7-11-9-15-14-5-3-2-4-12(14)13(11)8-10;1-10-6-7-14-13(8-10)12-5-3-2-4-11(12)9-15-14;1-10-6-7-13-12-5-3-2-4-11(12)9-15-14(13)8-10;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-5-9-8(11-6-7)3-2-4-10-9;13*1-2/h5*2-9H,1H3;3*2-6H,1H3;13*1-2H3
InChIKeyKNBKRPFQZRVQKN-UHFFFAOYSA-N
MW1789.69 g/mol
LogP37.64
Rot. Bonds

About 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

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 (PubChem CID 159182420) has the molecular formula C123H157N11 and a molecular weight of 1789.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID159182420
Molecular FormulaC123H157N11
Molecular Weight1789.69 g/mol
Exact Mass1788.26
IUPAC Nameethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1ccccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2cnc3ccccc3c2c1.Cc1ccc2ncc3ccccc3c2c1.Cc1ccc2ncccc2n1.Cc1ccnc2cccnc12.Cc1cnc2cccnc2c1.Cc1nc2ccccc2c2ccccc12
InChIInChI=1S/5C14H11N.3C9H8N2.13C2H6/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;1-10-6-7-12-11(8-10)9-15-14-5-3-2-4-13(12)14;1-10-6-7-11-9-15-14-5-3-2-4-12(14)13(11)8-10;1-10-6-7-14-13(8-10)12-5-3-2-4-11(12)9-15-14;1-10-6-7-13-12-5-3-2-4-11(12)9-15-14(13)8-10;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-5-9-8(11-6-7)3-2-4-10-9;13*1-2/h5*2-9H,1H3;3*2-6H,1H3;13*1-2H3
InChIKeyKNBKRPFQZRVQKN-UHFFFAOYSA-N
XLogP37.64
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.69
LogP ≤ 537.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 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
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
ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine
CID 144598154
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
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
2-methylphenanthridine
CID 14384826
9-methylphenanthridine
CID 10987123
ethane;1-methylisoquinoline;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methylquinoxaline
CID 157224388
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
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
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;bis(6-methylisoquinoline);1-methylnaphthalene;bis(2-methylnaphthalene);12-methylphenanthro[9,10-b]pyridine;2-methyl-4-phenylquinazoline;2-methylquinazoline;4-methylquinazoline;6-methylquinazoline;4-methylquinoline;bis(5-methylquinoline);bis(6-methylquinoline);bis(8-methylquinoline);2-methylquinoxaline;5-methylquinoxaline;1-methyltriphenylene;2-methyltriphenylene
CID 157298611
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1ccccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2cnc3ccccc3c2c1.Cc1ccc2ncc3ccccc3c2c1.Cc1ccc2ncccc2n1.Cc1ccnc2cccnc12.Cc1cnc2cccnc2c1.Cc1nc2ccccc2c2ccccc12.
What is the InChIKey of 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?
The InChIKey is KNBKRPFQZRVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H11N.3C9H8N2.13C2H6/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;1-10-6-7-12-11(8-10)9-15-14-5-3-2-4-13(12)14;1-10-6-7-11-9-15-14-5-3-2-4-12(14)13(11)8-10;1-10-6-7-14-13(8-10)12-5-3-2-4-11(12)9-15-14;1-10-6-7-13-12-5-3-2-4-11(12)9-15-14(13)8-10;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-5-9-8(11-6-7)3-2-4-10-9;13*1-2/h5*2-9H,1H3;3*2-6H,1H3;13*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1789.69 g/mol, XLogP of 37.64, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159182420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).