6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole

C33H20N6S — CID 118229376

IUPAC6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
SMILESc1ccc2c(c1)c1c3sccc3ccc1n2-c1nc(-c2ccncc2)nc(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C33H20N6S/c1-2-4-27-26(3-1)29-28(10-9-23-15-20-40-30(23)29)39(27)33-37-31(36-32(38-33)25-13-18-35-19-14-25)24-7-5-21(6-8-24)22-11-16-34-17-12-22/h1-20H
InChIKeyMGYYNKOFAFYNLX-UHFFFAOYSA-N
MW532.63 g/mol
LogP7.97
Rot. Bonds4

About 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole

6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole (PubChem CID 118229376) has the molecular formula C33H20N6S and a molecular weight of 532.63 g/mol. Its IUPAC name is 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
PubChem CID118229376
Molecular FormulaC33H20N6S
Molecular Weight532.63 g/mol
Exact Mass532.15
IUPAC Name6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
SMILESc1ccc2c(c1)c1c3sccc3ccc1n2-c1nc(-c2ccncc2)nc(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C33H20N6S/c1-2-4-27-26(3-1)29-28(10-9-23-15-20-40-30(23)29)39(27)33-37-31(36-32(38-33)25-13-18-35-19-14-25)24-7-5-21(6-8-24)22-11-16-34-17-12-22/h1-20H
InChIKeyMGYYNKOFAFYNLX-UHFFFAOYSA-N
XLogP7.97
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.63
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229434
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
CID 123633053
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
CID 135264413
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504
2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229645
2-phenyl-6-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]thieno[3,2-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]thieno[3,2-c]carbazole
CID 160528946
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
CID 118487847
6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
CID 118229476
6-quinolin-5-ylthieno[3,2-c]carbazole
CID 118228164

Frequently Asked Questions

What is the IUPAC name of 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole?
The IUPAC name of 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole (CID 118229376) is 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole.
What is the SMILES notation for 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole?
The canonical SMILES for 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole is c1ccc2c(c1)c1c3sccc3ccc1n2-c1nc(-c2ccncc2)nc(-c2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole?
The InChIKey is MGYYNKOFAFYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N6S/c1-2-4-27-26(3-1)29-28(10-9-23-15-20-40-30(23)29)39(27)33-37-31(36-32(38-33)25-13-18-35-19-14-25)24-7-5-21(6-8-24)22-11-16-34-17-12-22/h1-20H.
What are the key properties of 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole?
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole has a molecular weight of 532.63 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118229376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).