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

C40H25N5S — CID 118229475

IUPAC6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
SMILESc1ccc(-c2cc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3s2)cc1
InChIInChI=1S/C40H25N5S/c1-2-6-28(7-3-1)37-24-30-12-15-36-38(39(30)46-37)32-8-4-5-9-35(32)45(36)31-13-10-29(11-14-31)40-43-33(26-16-20-41-21-17-26)25-34(44-40)27-18-22-42-23-19-27/h1-25H
InChIKeyGLBDFYLGMZYQTJ-UHFFFAOYSA-N
MW607.74 g/mol
LogP10.25
Rot. Bonds5

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

6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole (PubChem CID 118229475) has the molecular formula C40H25N5S and a molecular weight of 607.74 g/mol. Its IUPAC name is 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
PubChem CID118229475
Molecular FormulaC40H25N5S
Molecular Weight607.74 g/mol
Exact Mass607.18
IUPAC Name6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
SMILESc1ccc(-c2cc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3s2)cc1
InChIInChI=1S/C40H25N5S/c1-2-6-28(7-3-1)37-24-30-12-15-36-38(39(30)46-37)32-8-4-5-9-35(32)45(36)31-13-10-29(11-14-31)40-43-33(26-16-20-41-21-17-26)25-34(44-40)27-18-22-42-23-19-27/h1-25H
InChIKeyGLBDFYLGMZYQTJ-UHFFFAOYSA-N
XLogP10.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.74
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
CID 118229469
2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
CID 118228059
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228493
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
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
2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
CID 118228358
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
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-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
CID 167146293
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole?
The IUPAC name of 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole (CID 118229475) is 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole?
The canonical SMILES for 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole is c1ccc(-c2cc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3s2)cc1.
What is the InChIKey of 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole?
The InChIKey is GLBDFYLGMZYQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5S/c1-2-6-28(7-3-1)37-24-30-12-15-36-38(39(30)46-37)32-8-4-5-9-35(32)45(36)31-13-10-29(11-14-31)40-43-33(26-16-20-41-21-17-26)25-34(44-40)27-18-22-42-23-19-27/h1-25H.
What are the key properties of 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole?
6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole has a molecular weight of 607.74 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole is sourced from PubChem (CID 118229475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).