6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

C23H18N4O — CID 134695204

IUPAC6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc3c4cccnc4nn23)cc1
InChIInChI=1S/C23H18N4O/c1-15-5-7-16(8-6-15)20-14-21(17-9-11-18(28-2)12-10-17)27-23(25-20)19-4-3-13-24-22(19)26-27/h3-14H,1-2H3
InChIKeyMWADTNMYJSWHMJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.93
Rot. Bonds3

About 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (PubChem CID 134695204) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID134695204
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc3c4cccnc4nn23)cc1
InChIInChI=1S/C23H18N4O/c1-15-5-7-16(8-6-15)20-14-21(17-9-11-18(28-2)12-10-17)27-23(25-20)19-4-3-13-24-22(19)26-27/h3-14H,1-2H3
InChIKeyMWADTNMYJSWHMJ-UHFFFAOYSA-N
XLogP4.93
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695234
6-(2-methoxyphenyl)-4-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695196
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 11488572
ethyl 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-11-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carboxylate
CID 134157948
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
2-(4-methylphenyl)-1,8-naphthyridine-4-carboxylic acid
CID 70910197
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
CID 122382936
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The IUPAC name of 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (CID 134695204) is 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The canonical SMILES for 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c4cccnc4nn23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The InChIKey is MWADTNMYJSWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-5-7-16(8-6-15)20-14-21(17-9-11-18(28-2)12-10-17)27-23(25-20)19-4-3-13-24-22(19)26-27/h3-14H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene has a molecular weight of 366.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 134695204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).