4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline

C39H26N8 — CID 59273800

IUPAC4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
SMILESCc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1cncc2ccccc12
InChIInChI=1S/C39H26N8/c1-25-22-26(18-19-28(25)30-24-40-23-27-10-2-3-11-29(27)30)37-45-38(35-16-8-14-33(43-35)31-12-4-6-20-41-31)47-39(46-37)36-17-9-15-34(44-36)32-13-5-7-21-42-32/h2-24H,1H3
InChIKeyMPOHTCGCXRLYAS-UHFFFAOYSA-N
MW606.69 g/mol
LogP8.31
Rot. Bonds6

About 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline

4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline (PubChem CID 59273800) has the molecular formula C39H26N8 and a molecular weight of 606.69 g/mol. Its IUPAC name is 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline.

Molecular Properties

Compound Name4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
PubChem CID59273800
Molecular FormulaC39H26N8
Molecular Weight606.69 g/mol
Exact Mass606.23
IUPAC Name4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
SMILESCc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1cncc2ccccc12
InChIInChI=1S/C39H26N8/c1-25-22-26(18-19-28(25)30-24-40-23-27-10-2-3-11-29(27)30)37-45-38(35-16-8-14-33(43-35)31-12-4-6-20-41-31)47-39(46-37)36-17-9-15-34(44-36)32-13-5-7-21-42-32/h2-24H,1H3
InChIKeyMPOHTCGCXRLYAS-UHFFFAOYSA-N
XLogP8.31
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.69
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 59273776
4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
CID 167146078
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273746
4-[2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]isoquinoline
CID 118314052
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline
CID 91345968
[3-[2-isoquinolin-4-yl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]boronic acid
CID 123998019
4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline
CID 110170154
2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 126727033
2,4-dinaphthalen-1-yl-6-[3-phenanthren-9-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 122416044

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline?
The IUPAC name of 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline (CID 59273800) is 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline.
What is the SMILES notation for 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline?
The canonical SMILES for 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline is Cc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1cncc2ccccc12.
What is the InChIKey of 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline?
The InChIKey is MPOHTCGCXRLYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N8/c1-25-22-26(18-19-28(25)30-24-40-23-27-10-2-3-11-29(27)30)37-45-38(35-16-8-14-33(43-35)31-12-4-6-20-41-31)47-39(46-37)36-17-9-15-34(44-36)32-13-5-7-21-42-32/h2-24H,1H3.
What are the key properties of 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline?
4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline has a molecular weight of 606.69 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline is sourced from PubChem (CID 59273800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).