3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole

C43H30N8 — CID 138578689

IUPAC3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccn3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)n1
InChIInChI=1S/C43H30N8/c1-27-45-28(2)47-42(46-27)31-20-23-39-35(25-31)34-17-9-10-19-38(34)51(39)32-21-22-33(37-18-11-12-24-44-37)36(26-32)43-49-40(29-13-5-3-6-14-29)48-41(50-43)30-15-7-4-8-16-30/h3-26H,1-2H3
InChIKeyDIFPJWBYBOYZMK-UHFFFAOYSA-N
MW658.77 g/mol
LogP9.50
Rot. Bonds6

About 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole

3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (PubChem CID 138578689) has the molecular formula C43H30N8 and a molecular weight of 658.77 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.

Molecular Properties

Compound Name3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
PubChem CID138578689
Molecular FormulaC43H30N8
Molecular Weight658.77 g/mol
Exact Mass658.26
IUPAC Name3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccn3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)n1
InChIInChI=1S/C43H30N8/c1-27-45-28(2)47-42(46-27)31-20-23-39-35(25-31)34-17-9-10-19-38(34)51(39)32-21-22-33(37-18-11-12-24-44-37)36(26-32)43-49-40(29-13-5-3-6-14-29)48-41(50-43)30-15-7-4-8-16-30/h3-26H,1-2H3
InChIKeyDIFPJWBYBOYZMK-UHFFFAOYSA-N
XLogP9.50
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.77
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578511
5-[6-(3,5-dicyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138578694
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]carbazole
CID 138578488
3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578581
4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 154603027
[3-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 158499784
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 167168647
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole
CID 142597624
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
CID 138579314
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
The IUPAC name of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (CID 138578689) is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.
What is the SMILES notation for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
The canonical SMILES for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccn3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)n1.
What is the InChIKey of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
The InChIKey is DIFPJWBYBOYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N8/c1-27-45-28(2)47-42(46-27)31-20-23-39-35(25-31)34-17-9-10-19-38(34)51(39)32-21-22-33(37-18-11-12-24-44-37)36(26-32)43-49-40(29-13-5-3-6-14-29)48-41(50-43)30-15-7-4-8-16-30/h3-26H,1-2H3.
What are the key properties of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole has a molecular weight of 658.77 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 138578689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).