6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene

C28H17N3 — CID 146376314

IUPAC6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
SMILESc1cncc(-c2cccc3c2c2cccc4c5c(-c6cccnc6)cccc5n3c24)c1
InChIInChI=1S/C28H17N3/c1-10-22-26-20(18-6-4-14-29-16-18)8-2-12-24(26)31-25-13-3-9-21(19-7-5-15-30-17-19)27(25)23(11-1)28(22)31/h1-17H
InChIKeyZEXAQTRINTXLIE-UHFFFAOYSA-N
MW395.47 g/mol
LogP6.96
Rot. Bonds2

About 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene

6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene (PubChem CID 146376314) has the molecular formula C28H17N3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene.

Molecular Properties

Compound Name6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
PubChem CID146376314
Molecular FormulaC28H17N3
Molecular Weight395.47 g/mol
Exact Mass395.14
IUPAC Name6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
SMILESc1cncc(-c2cccc3c2c2cccc4c5c(-c6cccnc6)cccc5n3c24)c1
InChIInChI=1S/C28H17N3/c1-10-22-26-20(18-6-4-14-29-16-18)8-2-12-24(26)31-25-13-3-9-21(19-7-5-15-30-17-19)27(25)23(11-1)28(22)31/h1-17H
InChIKeyZEXAQTRINTXLIE-UHFFFAOYSA-N
XLogP6.96
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene with MolForge

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Related Compounds

3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 164528269
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737595
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737588
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
12-(2,6-dipyridin-3-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145010007
cyclopenta[c]azepine
CID 638010
14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 171748567
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334926
16-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 155312222
10-dibenzothiophen-1-yl-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528197

Frequently Asked Questions

What is the IUPAC name of 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?
The IUPAC name of 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene (CID 146376314) is 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene.
What is the SMILES notation for 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?
The canonical SMILES for 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene is c1cncc(-c2cccc3c2c2cccc4c5c(-c6cccnc6)cccc5n3c24)c1.
What is the InChIKey of 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?
The InChIKey is ZEXAQTRINTXLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3/c1-10-22-26-20(18-6-4-14-29-16-18)8-2-12-24(26)31-25-13-3-9-21(19-7-5-15-30-17-19)27(25)23(11-1)28(22)31/h1-17H.
What are the key properties of 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?
6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene has a molecular weight of 395.47 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene is sourced from PubChem (CID 146376314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).