10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C28H19N5OS — CID 1388652

IUPAC10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(-c2c(-c3ccccc3)n(Cc3ccco3)c3ncn4nc(-c5cccs5)nc4c23)cc1
InChIInChI=1S/C28H19N5OS/c1-3-9-19(10-4-1)23-24-27(29-18-33-28(24)30-26(31-33)22-14-8-16-35-22)32(17-21-13-7-15-34-21)25(23)20-11-5-2-6-12-20/h1-16,18H,17H2
InChIKeyUIDXUKZHYQZTQD-UHFFFAOYSA-N
MW473.56 g/mol
LogP6.78
Rot. Bonds5

About 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 1388652) has the molecular formula C28H19N5OS and a molecular weight of 473.56 g/mol. Its IUPAC name is 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID1388652
Molecular FormulaC28H19N5OS
Molecular Weight473.56 g/mol
Exact Mass473.13
IUPAC Name10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(-c2c(-c3ccccc3)n(Cc3ccco3)c3ncn4nc(-c5cccs5)nc4c23)cc1
InChIInChI=1S/C28H19N5OS/c1-3-9-19(10-4-1)23-24-27(29-18-33-28(24)30-26(31-33)22-14-8-16-35-22)32(17-21-13-7-15-34-21)25(23)20-11-5-2-6-12-20/h1-16,18H,17H2
InChIKeyUIDXUKZHYQZTQD-UHFFFAOYSA-N
XLogP6.78
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene 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 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 1388652) is 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is c1ccc(-c2c(-c3ccccc3)n(Cc3ccco3)c3ncn4nc(-c5cccs5)nc4c23)cc1.
What is the InChIKey of 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is UIDXUKZHYQZTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5OS/c1-3-9-19(10-4-1)23-24-27(29-18-33-28(24)30-26(31-33)22-14-8-16-35-22)32(17-21-13-7-15-34-21)25(23)20-11-5-2-6-12-20/h1-16,18H,17H2.
What are the key properties of 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 473.56 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(furan-2-ylmethyl)-11,12-diphenyl-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 1388652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).