6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole

C43H28N2S — CID 118227971

IUPAC6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)cc1
InChIInChI=1S/C43H28N2S/c1-5-15-29(16-6-1)33-27-36(30-17-7-2-8-18-30)44-39(28-33)45-37-24-14-13-23-34(37)41-38(45)26-25-35-40(31-19-9-3-10-20-31)42(46-43(35)41)32-21-11-4-12-22-32/h1-28H
InChIKeyHYIRWPWTEJQPNG-UHFFFAOYSA-N
MW604.78 g/mol
LogP12.06
Rot. Bonds5

About 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole

6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole (PubChem CID 118227971) has the molecular formula C43H28N2S and a molecular weight of 604.78 g/mol. Its IUPAC name is 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
PubChem CID118227971
Molecular FormulaC43H28N2S
Molecular Weight604.78 g/mol
Exact Mass604.20
IUPAC Name6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)cc1
InChIInChI=1S/C43H28N2S/c1-5-15-29(16-6-1)33-27-36(30-17-7-2-8-18-30)44-39(28-33)45-37-24-14-13-23-34(37)41-38(45)26-25-35-40(31-19-9-3-10-20-31)42(46-43(35)41)32-21-11-4-12-22-32/h1-28H
InChIKeyHYIRWPWTEJQPNG-UHFFFAOYSA-N
XLogP12.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.78
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648
2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
CID 118228358
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
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
CID 144976472
CID 144976472
22-(4,6-diphenyl-2-pyridinyl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;prop-1-ene
CID 145105417
6-dibenzothiophen-2-yl-2,3-diphenylthieno[3,2-c]carbazole
CID 118228202
25-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-2,25-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432268
5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 157100592
21-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-10,21-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432668
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole?
The IUPAC name of 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole (CID 118227971) is 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole.
What is the SMILES notation for 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole?
The canonical SMILES for 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole?
The InChIKey is HYIRWPWTEJQPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S/c1-5-15-29(16-6-1)33-27-36(30-17-7-2-8-18-30)44-39(28-33)45-37-24-14-13-23-34(37)41-38(45)26-25-35-40(31-19-9-3-10-20-31)42(46-43(35)41)32-21-11-4-12-22-32/h1-28H.
What are the key properties of 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole?
6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole has a molecular weight of 604.78 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole is sourced from PubChem (CID 118227971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).