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

C24H20N4O3 — CID 134695234

IUPAC4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCOc1cc(-c2cc(-c3ccccc3)nc3c4cccnc4nn23)cc(OC)c1OC
InChIInChI=1S/C24H20N4O3/c1-29-20-12-16(13-21(30-2)22(20)31-3)19-14-18(15-8-5-4-6-9-15)26-24-17-10-7-11-25-23(17)27-28(19)24/h4-14H,1-3H3
InChIKeyIOZWZRKJXJSHQQ-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.64
Rot. Bonds5

About 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

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 (PubChem CID 134695234) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID134695234
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCOc1cc(-c2cc(-c3ccccc3)nc3c4cccnc4nn23)cc(OC)c1OC
InChIInChI=1S/C24H20N4O3/c1-29-20-12-16(13-21(30-2)22(20)31-3)19-14-18(15-8-5-4-6-9-15)26-24-17-10-7-11-25-23(17)27-28(19)24/h4-14H,1-3H3
InChIKeyIOZWZRKJXJSHQQ-UHFFFAOYSA-N
XLogP4.64
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
CID 90680976
7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036245
5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 140579525
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 4014228
7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 39312494
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 11488572
4,7,8-trimethoxy-2-phenylquinoline
CID 20743676
2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
CID 102338690

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc(-c3ccccc3)nc3c4cccnc4nn23)cc(OC)c1OC.
What is the InChIKey of 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?
The InChIKey is IOZWZRKJXJSHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-29-20-12-16(13-21(30-2)22(20)31-3)19-14-18(15-8-5-4-6-9-15)26-24-17-10-7-11-25-23(17)27-28(19)24/h4-14H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 412.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134695234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).