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

C29H20N6O — CID 1305933

IUPAC10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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(-c5ccccn5)nc4c23)cc1
InChIInChI=1S/C29H20N6O/c1-3-10-20(11-4-1)24-25-28(31-19-35-29(25)32-27(33-35)23-15-7-8-16-30-23)34(18-22-14-9-17-36-22)26(24)21-12-5-2-6-13-21/h1-17,19H,18H2
InChIKeyPKLVRZKATYAETM-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.12
Rot. Bonds5

About 10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 1305933) has the molecular formula C29H20N6O and a molecular weight of 468.52 g/mol. Its IUPAC name is 10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID1305933
Molecular FormulaC29H20N6O
Molecular Weight468.52 g/mol
Exact Mass468.17
IUPAC Name10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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(-c5ccccn5)nc4c23)cc1
InChIInChI=1S/C29H20N6O/c1-3-10-20(11-4-1)24-25-28(31-19-35-29(25)32-27(33-35)23-15-7-8-16-30-23)34(18-22-14-9-17-36-22)26(24)21-12-5-2-6-13-21/h1-17,19H,18H2
InChIKeyPKLVRZKATYAETM-UHFFFAOYSA-N
XLogP6.12
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 1305933) is 10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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-pyridin-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-pyridin-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(-c5ccccn5)nc4c23)cc1.
What is the InChIKey of 10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is PKLVRZKATYAETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6O/c1-3-10-20(11-4-1)24-25-28(31-19-35-29(25)32-27(33-35)23-15-7-8-16-30-23)34(18-22-14-9-17-36-22)26(24)21-12-5-2-6-13-21/h1-17,19H,18H2.
What are the key properties of 10-(furan-2-ylmethyl)-11,12-diphenyl-4-pyridin-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-pyridin-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 468.52 g/mol, XLogP of 6.12, 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-pyridin-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 1305933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).