1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine

C29H16N2O — CID 122471130

IUPAC1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)nccc12
InChIInChI=1S/C29H16N2O/c1-3-10-24-18(6-1)21-8-5-9-22-19-13-12-17(16-25(19)31(24)28(21)22)27-29-23(14-15-30-27)20-7-2-4-11-26(20)32-29/h1-16H
InChIKeyWTENVXAKPSKVQB-UHFFFAOYSA-N
MW408.46 g/mol
LogP7.80
Rot. Bonds1

About 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine

1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 122471130) has the molecular formula C29H16N2O and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID122471130
Molecular FormulaC29H16N2O
Molecular Weight408.46 g/mol
Exact Mass408.13
IUPAC Name1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)nccc12
InChIInChI=1S/C29H16N2O/c1-3-10-24-18(6-1)21-8-5-9-22-19-13-12-17(16-25(19)31(24)28(21)22)27-29-23(14-15-30-27)20-7-2-4-11-26(20)32-29/h1-16H
InChIKeyWTENVXAKPSKVQB-UHFFFAOYSA-N
XLogP7.80
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 122471174
1-[3-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 129124615
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118179975
1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 88857589
27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
CID 134434013
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline
CID 123205403
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 118245530
19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene
CID 165161281
2-[3-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenyl]xanthen-9-one
CID 176758561
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-triphenylen-2-ylaniline
CID 118180041
bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811588

Frequently Asked Questions

What is the IUPAC name of 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine (CID 122471130) is 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc2c(c1)oc1c(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)nccc12.
What is the InChIKey of 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is WTENVXAKPSKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N2O/c1-3-10-24-18(6-1)21-8-5-9-22-19-13-12-17(16-25(19)31(24)28(21)22)27-29-23(14-15-30-27)20-7-2-4-11-26(20)32-29/h1-16H.
What are the key properties of 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine?
1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 408.46 g/mol, XLogP of 7.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 122471130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).