12-(2,6-dipyridin-2-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

C36H23N3 — CID 145009975

IUPAC12-(2,6-dipyridin-2-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
SMILESc1ccc(-c2cccc(-c3ccccn3)c2-n2c3c4ccccc4ccc3c3ccc4ccccc4c32)nc1
InChIInChI=1S/C36H23N3/c1-3-12-26-24(10-1)18-20-28-29-21-19-25-11-2-4-13-27(25)35(29)39(34(26)28)36-30(32-16-5-7-22-37-32)14-9-15-31(36)33-17-6-8-23-38-33/h1-23H
InChIKeyAPXVPGRCYDYBMD-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.21
Rot. Bonds3

About 12-(2,6-dipyridin-2-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

12-(2,6-dipyridin-2-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 (PubChem CID 145009975) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 12-(2,6-dipyridin-2-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.

Molecular Properties

Compound Name12-(2,6-dipyridin-2-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
PubChem CID145009975
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name12-(2,6-dipyridin-2-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
SMILESc1ccc(-c2cccc(-c3ccccn3)c2-n2c3c4ccccc4ccc3c3ccc4ccccc4c32)nc1
InChIInChI=1S/C36H23N3/c1-3-12-26-24(10-1)18-20-28-29-21-19-25-11-2-4-13-27(25)35(29)39(34(26)28)36-30(32-16-5-7-22-37-32)14-9-15-31(36)33-17-6-8-23-38-33/h1-23H
InChIKeyAPXVPGRCYDYBMD-UHFFFAOYSA-N
XLogP9.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(2,6-dipyridin-2-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 with MolForge

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Related Compounds

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
2-hexahelicen-1-ylpyridine
CID 146019951
5-(2,6-dipyridin-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 145009858
2-naphthalen-1-ylpyridine;quinoxaline
CID 174357892
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361
9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
CID 134184019
2-(11,11-dimethylbenzo[a]fluoren-10-yl)pyridine
CID 168745083
18-(2,6-dipyridin-2-yl-4-pyridinyl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134183972
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
8-pyridin-2-ylquinoline
CID 10982041
9-(6-pyridin-2-yl-3-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361292
11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole
CID 134531039

Frequently Asked Questions

What is the IUPAC name of 12-(2,6-dipyridin-2-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?
The IUPAC name of 12-(2,6-dipyridin-2-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 145009975) is 12-(2,6-dipyridin-2-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.
What is the SMILES notation for 12-(2,6-dipyridin-2-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?
The canonical SMILES for 12-(2,6-dipyridin-2-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 is c1ccc(-c2cccc(-c3ccccn3)c2-n2c3c4ccccc4ccc3c3ccc4ccccc4c32)nc1.
What is the InChIKey of 12-(2,6-dipyridin-2-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?
The InChIKey is APXVPGRCYDYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-3-12-26-24(10-1)18-20-28-29-21-19-25-11-2-4-13-27(25)35(29)39(34(26)28)36-30(32-16-5-7-22-37-32)14-9-15-31(36)33-17-6-8-23-38-33/h1-23H.
What are the key properties of 12-(2,6-dipyridin-2-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?
12-(2,6-dipyridin-2-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 has a molecular weight of 497.60 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,6-dipyridin-2-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 is sourced from PubChem (CID 145009975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).