13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine

C29H24N4O2 — CID 134136230

IUPAC13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine
SMILESNc1c2c(nc3c1C(c1ccccc1)c1c(-c4ccco4)nn(-c4ccccc4)c1O3)CCCC2
InChIInChI=1S/C29H24N4O2/c30-26-20-14-7-8-15-21(20)31-28-24(26)23(18-10-3-1-4-11-18)25-27(22-16-9-17-34-22)32-33(29(25)35-28)19-12-5-2-6-13-19/h1-6,9-13,16-17,23H,7-8,14-15H2,(H2,30,31)
InChIKeyUVCXEIZZXFEHCV-UHFFFAOYSA-N
MW460.54 g/mol
LogP6.27
Rot. Bonds3

About 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine

13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine (PubChem CID 134136230) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine.

Molecular Properties

Compound Name13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine
PubChem CID134136230
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine
SMILESNc1c2c(nc3c1C(c1ccccc1)c1c(-c4ccco4)nn(-c4ccccc4)c1O3)CCCC2
InChIInChI=1S/C29H24N4O2/c30-26-20-14-7-8-15-21(20)31-28-24(26)23(18-10-3-1-4-11-18)25-27(22-16-9-17-34-22)32-33(29(25)35-28)19-12-5-2-6-13-19/h1-6,9-13,16-17,23H,7-8,14-15H2,(H2,30,31)
InChIKeyUVCXEIZZXFEHCV-UHFFFAOYSA-N
XLogP6.27
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine?
The IUPAC name of 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine (CID 134136230) is 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine.
What is the SMILES notation for 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine?
The canonical SMILES for 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine is Nc1c2c(nc3c1C(c1ccccc1)c1c(-c4ccco4)nn(-c4ccccc4)c1O3)CCCC2.
What is the InChIKey of 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine?
The InChIKey is UVCXEIZZXFEHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c30-26-20-14-7-8-15-21(20)31-28-24(26)23(18-10-3-1-4-11-18)25-27(22-16-9-17-34-22)32-33(29(25)35-28)19-12-5-2-6-13-19/h1-6,9-13,16-17,23H,7-8,14-15H2,(H2,30,31).
What are the key properties of 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine?
13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine has a molecular weight of 460.54 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(furan-2-yl)-11,15-diphenyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16),13-pentaen-9-amine is sourced from PubChem (CID 134136230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).