8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene

C31H22N6 — CID 163624546

IUPAC8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene
SMILESC1=Cc2c(c3cnccc3n2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)CN1
InChIInChI=1S/C31H22N6/c1-3-13-34-26(5-1)28-17-22(18-29(36-28)27-6-2-4-14-35-27)21-7-9-23(10-8-21)37-30-11-15-32-19-24(30)25-20-33-16-12-31(25)37/h1-19,33H,20H2
InChIKeyHQYNSAYTUSLIKK-UHFFFAOYSA-N
MW478.56 g/mol
LogP6.29
Rot. Bonds4

About 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene

8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene (PubChem CID 163624546) has the molecular formula C31H22N6 and a molecular weight of 478.56 g/mol. Its IUPAC name is 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene.

Molecular Properties

Compound Name8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene
PubChem CID163624546
Molecular FormulaC31H22N6
Molecular Weight478.56 g/mol
Exact Mass478.19
IUPAC Name8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene
SMILESC1=Cc2c(c3cnccc3n2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)CN1
InChIInChI=1S/C31H22N6/c1-3-13-34-26(5-1)28-17-22(18-29(36-28)27-6-2-4-14-35-27)21-7-9-23(10-8-21)37-30-11-15-32-19-24(30)25-20-33-16-12-31(25)37/h1-19,33H,20H2
InChIKeyHQYNSAYTUSLIKK-UHFFFAOYSA-N
XLogP6.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene with MolForge

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Related Compounds

5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 70940766
8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143310191
5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 145477210
9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
CID 58750621
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
CID 58750680
5-[6-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole
CID 118053817
5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 71021903
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 89119653
8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole
CID 118983822
5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
CID 89010621

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene?
The IUPAC name of 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene (CID 163624546) is 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene.
What is the SMILES notation for 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene?
The canonical SMILES for 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene is C1=Cc2c(c3cnccc3n2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)CN1.
What is the InChIKey of 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene?
The InChIKey is HQYNSAYTUSLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6/c1-3-13-34-26(5-1)28-17-22(18-29(36-28)27-6-2-4-14-35-27)21-7-9-23(10-8-21)37-30-11-15-32-19-24(30)25-20-33-16-12-31(25)37/h1-19,33H,20H2.
What are the key properties of 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene?
8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene has a molecular weight of 478.56 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene is sourced from PubChem (CID 163624546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).