6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole

C34H21N5S — CID 118229357

IUPAC6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3c4sccc4ccc32)c1
InChIInChI=1S/C34H21N5S/c1-2-7-30-27(6-1)32-31(9-8-23-14-19-40-33(23)32)39(30)26-5-3-4-25(20-26)29-21-28(22-10-15-35-16-11-22)37-34(38-29)24-12-17-36-18-13-24/h1-21H
InChIKeyQBLTZUQNHHJWAQ-UHFFFAOYSA-N
MW531.64 g/mol
LogP8.58
Rot. Bonds4

About 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole

6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole (PubChem CID 118229357) has the molecular formula C34H21N5S and a molecular weight of 531.64 g/mol. Its IUPAC name is 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
PubChem CID118229357
Molecular FormulaC34H21N5S
Molecular Weight531.64 g/mol
Exact Mass531.15
IUPAC Name6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3c4sccc4ccc32)c1
InChIInChI=1S/C34H21N5S/c1-2-7-30-27(6-1)32-31(9-8-23-14-19-40-33(23)32)39(30)26-5-3-4-25(20-26)29-21-28(22-10-15-35-16-11-22)37-34(38-29)24-12-17-36-18-13-24/h1-21H
InChIKeyQBLTZUQNHHJWAQ-UHFFFAOYSA-N
XLogP8.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
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]furo[3,2-c]carbazole
CID 118229450
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
CID 118229376
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 158520194
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 123490836
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-15-thia-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene
CID 139551583
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-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;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-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;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-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 158955537
9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole
CID 140923124

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole (CID 118229357) is 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole is c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3c4sccc4ccc32)c1.
What is the InChIKey of 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole?
The InChIKey is QBLTZUQNHHJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5S/c1-2-7-30-27(6-1)32-31(9-8-23-14-19-40-33(23)32)39(30)26-5-3-4-25(20-26)29-21-28(22-10-15-35-16-11-22)37-34(38-29)24-12-17-36-18-13-24/h1-21H.
What are the key properties of 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole?
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole has a molecular weight of 531.64 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118229357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).