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

C47H30N4S — CID 118228059

IUPAC2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2cc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)cc4)c3s2)cc1
InChIInChI=1S/C47H30N4S/c1-2-6-36(7-3-1)45-30-37-16-19-44-46(47(37)52-45)40-8-4-5-9-43(40)51(44)39-17-14-34(15-18-39)41-28-38(29-42(50-41)35-22-26-49-27-23-35)32-12-10-31(11-13-32)33-20-24-48-25-21-33/h1-30H
InChIKeyYDPWTMYCOCPFCF-UHFFFAOYSA-N
MW682.85 g/mol
LogP12.52
Rot. Bonds6

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

2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole (PubChem CID 118228059) has the molecular formula C47H30N4S and a molecular weight of 682.85 g/mol. Its IUPAC name is 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
PubChem CID118228059
Molecular FormulaC47H30N4S
Molecular Weight682.85 g/mol
Exact Mass682.22
IUPAC Name2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2cc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)cc4)c3s2)cc1
InChIInChI=1S/C47H30N4S/c1-2-6-36(7-3-1)45-30-37-16-19-44-46(47(37)52-45)40-8-4-5-9-43(40)51(44)39-17-14-34(15-18-39)41-28-38(29-42(50-41)35-22-26-49-27-23-35)32-12-10-31(11-13-32)33-20-24-48-25-21-33/h1-30H
InChIKeyYDPWTMYCOCPFCF-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

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
2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
CID 118229469
2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
CID 118228358
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
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-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648
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
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole (CID 118228059) is 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole is c1ccc(-c2cc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)cc4)c3s2)cc1.
What is the InChIKey of 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole?
The InChIKey is YDPWTMYCOCPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4S/c1-2-6-36(7-3-1)45-30-37-16-19-44-46(47(37)52-45)40-8-4-5-9-43(40)51(44)39-17-14-34(15-18-39)41-28-38(29-42(50-41)35-22-26-49-27-23-35)32-12-10-31(11-13-32)33-20-24-48-25-21-33/h1-30H.
What are the key properties of 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole?
2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[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 2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118228059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).