11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine

C27H25N5O — CID 122377740

IUPAC11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
SMILESCOc1ccc(-c2c3c(N)c4c(nc3nc3c2c(C)nn3-c2ccccc2)CCCC4)cc1
InChIInChI=1S/C27H25N5O/c1-16-22-23(17-12-14-19(33-2)15-13-17)24-25(28)20-10-6-7-11-21(20)29-26(24)30-27(22)32(31-16)18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H2,28,29,30)
InChIKeyUWGOWNZLSNTARA-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.41
Rot. Bonds3

About 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine

11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine (PubChem CID 122377740) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
PubChem CID122377740
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
SMILESCOc1ccc(-c2c3c(N)c4c(nc3nc3c2c(C)nn3-c2ccccc2)CCCC4)cc1
InChIInChI=1S/C27H25N5O/c1-16-22-23(17-12-14-19(33-2)15-13-17)24-25(28)20-10-6-7-11-21(20)29-26(24)30-27(22)32(31-16)18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H2,28,29,30)
InChIKeyUWGOWNZLSNTARA-UHFFFAOYSA-N
XLogP5.41
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
The IUPAC name of 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine (CID 122377740) is 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine.
What is the SMILES notation for 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
The canonical SMILES for 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine is COc1ccc(-c2c3c(N)c4c(nc3nc3c2c(C)nn3-c2ccccc2)CCCC4)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
The InChIKey is UWGOWNZLSNTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-16-22-23(17-12-14-19(33-2)15-13-17)24-25(28)20-10-6-7-11-21(20)29-26(24)30-27(22)32(31-16)18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H2,28,29,30).
What are the key properties of 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine has a molecular weight of 435.53 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine is sourced from PubChem (CID 122377740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).