2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline

C136H100N24 — CID 161422931

IUPAC2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline
SMILESCc1nc(C)nc(-c2cc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccncc4)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4cnccn4)cc3)cc(-c3ccc(-c4cnccn4)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4nccc5ccccc45)cc3)cc(-c3ccc(-c4nccc5ccccc45)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4ncccn4)cc3)cc(-c3ccc(-c4ncccn4)cc3)c2)n1
InChIInChI=1S/C41H29N5.C33H25N5.2C31H23N7/c1-26-44-27(2)46-41(45-26)36-24-34(28-11-15-32(16-12-28)39-37-9-5-3-7-30(37)19-21-42-39)23-35(25-36)29-13-17-33(18-14-29)40-38-10-6-4-8-31(38)20-22-43-40;1-22-36-23(2)38-33(37-22)32-20-30(26-7-3-24(4-8-26)28-11-15-34-16-12-28)19-31(21-32)27-9-5-25(6-10-27)29-13-17-35-18-14-29;1-20-36-21(2)38-31(37-20)28-18-26(22-5-9-24(10-6-22)29-32-13-3-14-33-29)17-27(19-28)23-7-11-25(12-8-23)30-34-15-4-16-35-30;1-20-36-21(2)38-31(37-20)28-16-26(22-3-7-24(8-4-22)29-18-32-11-13-34-29)15-27(17-28)23-5-9-25(10-6-23)30-19-33-12-14-35-30/h3-25H,1-2H3;3-21H,1-2H3;2*3-19H,1-2H3
InChIKeyVWZBKCDTPIKLMU-UHFFFAOYSA-N
MW2070.46 g/mol
LogP30.34
Rot. Bonds20

About 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline

2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline (PubChem CID 161422931) has the molecular formula C136H100N24 and a molecular weight of 2070.46 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline.

Molecular Properties

Compound Name2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline
PubChem CID161422931
Molecular FormulaC136H100N24
Molecular Weight2070.46 g/mol
Exact Mass2068.86
IUPAC Name2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline
SMILESCc1nc(C)nc(-c2cc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccncc4)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4cnccn4)cc3)cc(-c3ccc(-c4cnccn4)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4nccc5ccccc45)cc3)cc(-c3ccc(-c4nccc5ccccc45)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4ncccn4)cc3)cc(-c3ccc(-c4ncccn4)cc3)c2)n1
InChIInChI=1S/C41H29N5.C33H25N5.2C31H23N7/c1-26-44-27(2)46-41(45-26)36-24-34(28-11-15-32(16-12-28)39-37-9-5-3-7-30(37)19-21-42-39)23-35(25-36)29-13-17-33(18-14-29)40-38-10-6-4-8-31(38)20-22-43-40;1-22-36-23(2)38-33(37-22)32-20-30(26-7-3-24(4-8-26)28-11-15-34-16-12-28)19-31(21-32)27-9-5-25(6-10-27)29-13-17-35-18-14-29;1-20-36-21(2)38-31(37-20)28-18-26(22-5-9-24(10-6-22)29-32-13-3-14-33-29)17-27(19-28)23-7-11-25(12-8-23)30-34-15-4-16-35-30;1-20-36-21(2)38-31(37-20)28-16-26(22-3-7-24(8-4-22)29-18-32-11-13-34-29)15-27(17-28)23-5-9-25(10-6-23)30-19-33-12-14-35-30/h3-25H,1-2H3;3-21H,1-2H3;2*3-19H,1-2H3
InChIKeyVWZBKCDTPIKLMU-UHFFFAOYSA-N
XLogP30.34
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.46
LogP ≤ 530.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline 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

1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 164974564
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine;1-[4-[4-(3,5-dipyridin-2-ylphenyl)-6-(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163759383
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
2-(3-methyl-5-pyridin-4-ylphenyl)pyrazine
CID 144553900
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2-methyl-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 160549129

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline?
The IUPAC name of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline (CID 161422931) is 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline.
What is the SMILES notation for 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline?
The canonical SMILES for 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline is Cc1nc(C)nc(-c2cc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccncc4)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4cnccn4)cc3)cc(-c3ccc(-c4cnccn4)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4nccc5ccccc45)cc3)cc(-c3ccc(-c4nccc5ccccc45)cc3)c2)n1.Cc1nc(C)nc(-c2cc(-c3ccc(-c4ncccn4)cc3)cc(-c3ccc(-c4ncccn4)cc3)c2)n1.
What is the InChIKey of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline?
The InChIKey is VWZBKCDTPIKLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5.C33H25N5.2C31H23N7/c1-26-44-27(2)46-41(45-26)36-24-34(28-11-15-32(16-12-28)39-37-9-5-3-7-30(37)19-21-42-39)23-35(25-36)29-13-17-33(18-14-29)40-38-10-6-4-8-31(38)20-22-43-40;1-22-36-23(2)38-33(37-22)32-20-30(26-7-3-24(4-8-26)28-11-15-34-16-12-28)19-31(21-32)27-9-5-25(6-10-27)29-13-17-35-18-14-29;1-20-36-21(2)38-31(37-20)28-18-26(22-5-9-24(10-6-22)29-32-13-3-14-33-29)17-27(19-28)23-7-11-25(12-8-23)30-34-15-4-16-35-30;1-20-36-21(2)38-31(37-20)28-16-26(22-3-7-24(8-4-22)29-18-32-11-13-34-29)15-27(17-28)23-5-9-25(10-6-23)30-19-33-12-14-35-30/h3-25H,1-2H3;3-21H,1-2H3;2*3-19H,1-2H3.
What are the key properties of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline?
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline has a molecular weight of 2070.46 g/mol, XLogP of 30.34, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyridin-4-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dimethyl-1,3,5-triazine;1-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-1-ylphenyl)phenyl]phenyl]isoquinoline is sourced from PubChem (CID 161422931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).