17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine

About 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine

17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine (PubChem CID 135435555) has the molecular formula C33H28N6O and a molecular weight of 524.63 g/mol. Its IUPAC name is 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine.

Molecular Properties

Compound Name	17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine
PubChem CID	135435555
Molecular Formula	C33H28N6O
Molecular Weight	524.63 g/mol
Exact Mass	524.23
IUPAC Name	17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine
SMILES	COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2N=C2/C(=N/c3ccccc3C)Nc3ccccc3N21
InChI	InChI=1S/C33H28N6O/c1-21-13-7-9-17-25(21)34-31-33-36-32-29(22(2)37-39(32)23-14-5-4-6-15-23)30(24-16-8-12-20-28(24)40-3)38(33)27-19-11-10-18-26(27)35-31/h4-20,30H,1-3H3,(H,34,35)
InChIKey	RUSZDKLNOYSCHZ-UHFFFAOYSA-N
XLogP	7.29
TPSA	67.04 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine?

The IUPAC name of 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine (CID 135435555) is 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine.

What is the SMILES notation for 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine?

The canonical SMILES for 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine is COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2N=C2/C(=N/c3ccccc3C)Nc3ccccc3N21.

What is the InChIKey of 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine?

The InChIKey is RUSZDKLNOYSCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6O/c1-21-13-7-9-17-25(21)34-31-33-36-32-29(22(2)37-39(32)23-14-5-4-6-15-23)30(24-16-8-12-20-28(24)40-3)38(33)27-19-11-10-18-26(27)35-31/h4-20,30H,1-3H3,(H,34,35).

What are the key properties of 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine?

17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine has a molecular weight of 524.63 g/mol, XLogP of 7.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(2-methoxyphenyl)-15-methyl-N-(2-methylphenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine is sourced from PubChem (CID 135435555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).