9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene

C33H22N4 — CID 145322029

IUPAC9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene
SMILESC1=C2c3c(cccc3-c3c2c2ccccc2n3-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)CC1
InChIInChI=1S/C33H22N4/c1-2-16-30-23(11-1)32-24-12-7-9-21-10-8-13-25(31(21)24)33(32)37(30)22-19-28(26-14-3-5-17-34-26)36-29(20-22)27-15-4-6-18-35-27/h1-6,8,10-20H,7,9H2
InChIKeyDHVXTYOJVBHTFD-UHFFFAOYSA-N
MW474.57 g/mol
LogP7.51
Rot. Bonds3

About 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene

9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene (PubChem CID 145322029) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene.

Molecular Properties

Compound Name9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene
PubChem CID145322029
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene
SMILESC1=C2c3c(cccc3-c3c2c2ccccc2n3-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)CC1
InChIInChI=1S/C33H22N4/c1-2-16-30-23(11-1)32-24-12-7-9-21-10-8-13-25(31(21)24)33(32)37(30)22-19-28(26-14-3-5-17-34-26)36-29(20-22)27-15-4-6-18-35-27/h1-6,8,10-20H,7,9H2
InChIKeyDHVXTYOJVBHTFD-UHFFFAOYSA-N
XLogP7.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dipyridin-2-yl-4-pyridinyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 144609046
5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]
CID 129264585
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146654347
8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole;8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 161498366
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole
CID 59326017
8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129222029
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]carbazole;4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162103136
10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-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 163766201

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene?
The IUPAC name of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene (CID 145322029) is 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene.
What is the SMILES notation for 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene?
The canonical SMILES for 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene is C1=C2c3c(cccc3-c3c2c2ccccc2n3-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)CC1.
What is the InChIKey of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene?
The InChIKey is DHVXTYOJVBHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4/c1-2-16-30-23(11-1)32-24-12-7-9-21-10-8-13-25(31(21)24)33(32)37(30)22-19-28(26-14-3-5-17-34-26)36-29(20-22)27-15-4-6-18-35-27/h1-6,8,10-20H,7,9H2.
What are the key properties of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene?
9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene has a molecular weight of 474.57 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene is sourced from PubChem (CID 145322029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).