6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole

C47H30N4S — CID 118229648

IUPAC6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
SMILESc1ccc(-c2sc3c(ccc4c3c3ccccc3n4-c3ccc(-c4cc(-c5ccncc5)cc(-c5ccncc5)n4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C47H30N4S/c1-3-9-34(10-4-1)44-39-19-20-43-45(47(39)52-46(44)35-11-5-2-6-12-35)38-13-7-8-14-42(38)51(43)37-17-15-32(16-18-37)40-29-36(31-21-25-48-26-22-31)30-41(50-40)33-23-27-49-28-24-33/h1-30H
InChIKeyOVRFQAQGUWRLPQ-UHFFFAOYSA-N
MW682.85 g/mol
LogP12.52
Rot. Bonds6

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

6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole (PubChem CID 118229648) has the molecular formula C47H30N4S and a molecular weight of 682.85 g/mol. Its IUPAC name is 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
PubChem CID118229648
Molecular FormulaC47H30N4S
Molecular Weight682.85 g/mol
Exact Mass682.22
IUPAC Name6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
SMILESc1ccc(-c2sc3c(ccc4c3c3ccccc3n4-c3ccc(-c4cc(-c5ccncc5)cc(-c5ccncc5)n4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C47H30N4S/c1-3-9-34(10-4-1)44-39-19-20-43-45(47(39)52-46(44)35-11-5-2-6-12-35)38-13-7-8-14-42(38)51(43)37-17-15-32(16-18-37)40-29-36(31-21-25-48-26-22-31)30-41(50-40)33-23-27-49-28-24-33/h1-30H
InChIKeyOVRFQAQGUWRLPQ-UHFFFAOYSA-N
XLogP12.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
CID 118227971
2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
CID 118228059
6-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228260
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228493
6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
6-dibenzothiophen-2-yl-2,3-diphenylthieno[3,2-c]carbazole
CID 118228202
2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
CID 158193540
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159825657
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-(2,6-diphenyl-4-pyridinyl)-14-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-phenyl-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;9-(4-phenylphenyl)-14-pyridin-2-yl-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-phenylphenyl)-14-pyridin-4-yl-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 162141831

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
The IUPAC name of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole (CID 118229648) is 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
The canonical SMILES for 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole is c1ccc(-c2sc3c(ccc4c3c3ccccc3n4-c3ccc(-c4cc(-c5ccncc5)cc(-c5ccncc5)n4)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
The InChIKey is OVRFQAQGUWRLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4S/c1-3-9-34(10-4-1)44-39-19-20-43-45(47(39)52-46(44)35-11-5-2-6-12-35)38-13-7-8-14-42(38)51(43)37-17-15-32(16-18-37)40-29-36(31-21-25-48-26-22-31)30-41(50-40)33-23-27-49-28-24-33/h1-30H.
What are the key properties of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole?
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole has a molecular weight of 682.85 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole is sourced from PubChem (CID 118229648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).