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

C39H24N6S — CID 118229434

IUPAC6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
SMILESc1cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3c4sccc4ccc32)c1
InChIInChI=1S/C39H24N6S/c1-2-7-33-32(6-1)35-34(13-12-27-18-23-46-36(27)35)45(33)31-5-3-4-30(24-31)39-43-37(42-38(44-39)29-16-21-41-22-17-29)28-10-8-25(9-11-28)26-14-19-40-20-15-26/h1-24H
InChIKeyKRFMPIBXXFNKMX-UHFFFAOYSA-N
MW608.73 g/mol
LogP9.64
Rot. Bonds5

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

6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole (PubChem CID 118229434) has the molecular formula C39H24N6S and a molecular weight of 608.73 g/mol. Its IUPAC name is 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
PubChem CID118229434
Molecular FormulaC39H24N6S
Molecular Weight608.73 g/mol
Exact Mass608.18
IUPAC Name6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
SMILESc1cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3c4sccc4ccc32)c1
InChIInChI=1S/C39H24N6S/c1-2-7-33-32(6-1)35-34(13-12-27-18-23-46-36(27)35)45(33)31-5-3-4-30(24-31)39-43-37(42-38(44-39)29-16-21-41-22-17-29)28-10-8-25(9-11-28)26-14-19-40-20-15-26/h1-24H
InChIKeyKRFMPIBXXFNKMX-UHFFFAOYSA-N
XLogP9.64
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.73
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
CID 118229376
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-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 122598828
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
CID 123633053
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-(3-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 156554565
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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 169037238
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 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) is 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole is c1cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3c4sccc4ccc32)c1.
What is the InChIKey of 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
The InChIKey is KRFMPIBXXFNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N6S/c1-2-7-33-32(6-1)35-34(13-12-27-18-23-46-36(27)35)45(33)31-5-3-4-30(24-31)39-43-37(42-38(44-39)29-16-21-41-22-17-29)28-10-8-25(9-11-28)26-14-19-40-20-15-26/h1-24H.
What are the key properties of 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole has a molecular weight of 608.73 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118229434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).