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

C269H231N25 — CID 157298611

IUPAC1-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
SMILESCc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncncc2c1.Cc1cccc2c3ccccc3c3ccccc3c12.Cc1cccc2c3ccccc3c3cccnc3c12.Cc1cccc2ccccc12.Cc1cccc2cccnc12.Cc1cccc2cccnc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1cccc2ncccc12.Cc1cccc2nccnc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2n1.Cc1cncc2ccccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc2ccccc12.Cc1ncnc2ccccc12
InChIInChI=1S/2C19H14.C18H13N.C15H12N2.3C11H10.12C10H9N.5C9H8N2/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-12-6-4-9-15-13-7-2-3-8-14(13)16-10-5-11-19-18(16)17(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-8-4-2-6-10-9(8)5-3-7-11-10;2*1-8-4-2-5-9-6-3-7-11-10(8)9;2*1-8-2-3-10-7-11-5-4-9(10)6-8;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-3-2-4-8-9(7)11-6-5-10-8;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7/h2*2-12H,1H3;2-11H,1H3;2-10H,1H3;3*2-8H,1H3;12*2-7H,1H3;5*2-6H,1H3
InChIKeyBBQBIMNRRCEXEO-UHFFFAOYSA-N
MW3813.98 g/mol
LogP69.02
Rot. Bonds1

About 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

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 (PubChem CID 157298611) has the molecular formula C269H231N25 and a molecular weight of 3813.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157298611
Molecular FormulaC269H231N25
Molecular Weight3813.98 g/mol
Exact Mass3810.88
IUPAC Name1-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
SMILESCc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncncc2c1.Cc1cccc2c3ccccc3c3ccccc3c12.Cc1cccc2c3ccccc3c3cccnc3c12.Cc1cccc2ccccc12.Cc1cccc2cccnc12.Cc1cccc2cccnc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1cccc2ncccc12.Cc1cccc2nccnc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2n1.Cc1cncc2ccccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc2ccccc12.Cc1ncnc2ccccc12
InChIInChI=1S/2C19H14.C18H13N.C15H12N2.3C11H10.12C10H9N.5C9H8N2/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-12-6-4-9-15-13-7-2-3-8-14(13)16-10-5-11-19-18(16)17(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-8-4-2-6-10-9(8)5-3-7-11-10;2*1-8-4-2-5-9-6-3-7-11-10(8)9;2*1-8-2-3-10-7-11-5-4-9(10)6-8;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-3-2-4-8-9(7)11-6-5-10-8;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7/h2*2-12H,1H3;2-11H,1H3;2-10H,1H3;3*2-8H,1H3;12*2-7H,1H3;5*2-6H,1H3
InChIKeyBBQBIMNRRCEXEO-UHFFFAOYSA-N
XLogP69.02
TPSA322.25 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds1
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003813.98
LogP ≤ 569.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
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
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912
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-methyl-2,6-naphthyridine;1-methyl-2,7-naphthyridine;3-methyl-1,5-naphthyridine;3-methyl-1,6-naphthyridine;3-methyl-1,7-naphthyridine;3-methyl-1,8-naphthyridine;5-methyl-1,6-naphthyridine;8-methyl-1,7-naphthyridine;4-methylquinazoline
CID 158792411
6-methylisoquinoline;5-methylquinoline
CID 154664232
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;5-methylquinoline;bis(6-methylquinoline);bis(7-methylquinoline);8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 160949105
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;7-methylisoquinoline;8-methylisoquinoline;7-methylquinazoline;6-methylquinoxaline
CID 162044218
ethane;1-methyl-2,6-naphthyridine;1-methyl-2,7-naphthyridine;4-methyl-1,8-naphthyridine;4-methyl-2,6-naphthyridine;4-methyl-2,7-naphthyridine;5-methyl-1,6-naphthyridine;5-methyl-1,7-naphthyridine;8-methyl-1,6-naphthyridine;8-methyl-1,7-naphthyridine
CID 158920614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncncc2c1.Cc1cccc2c3ccccc3c3ccccc3c12.Cc1cccc2c3ccccc3c3cccnc3c12.Cc1cccc2ccccc12.Cc1cccc2cccnc12.Cc1cccc2cccnc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1cccc2ncccc12.Cc1cccc2nccnc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2n1.Cc1cncc2ccccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc2ccccc12.Cc1ncnc2ccccc12.
What is the InChIKey of 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?
The InChIKey is BBQBIMNRRCEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14.C18H13N.C15H12N2.3C11H10.12C10H9N.5C9H8N2/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-12-6-4-9-15-13-7-2-3-8-14(13)16-10-5-11-19-18(16)17(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-8-4-2-6-10-9(8)5-3-7-11-10;2*1-8-4-2-5-9-6-3-7-11-10(8)9;2*1-8-2-3-10-7-11-5-4-9(10)6-8;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-3-2-4-8-9(7)11-6-5-10-8;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7/h2*2-12H,1H3;2-11H,1H3;2-10H,1H3;3*2-8H,1H3;12*2-7H,1H3;5*2-6H,1H3.
What are the key properties of 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?
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 has a molecular weight of 3813.98 g/mol, XLogP of 69.02, 1 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157298611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).