2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole

C43H28N2S — CID 118228358

IUPAC2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6sc(-c7ccccc7)cc6ccc54)c3)cc2)cc1
InChIInChI=1S/C43H28N2S/c1-4-12-29(13-5-1)30-20-22-31(23-21-30)35-26-37(32-14-6-2-7-15-32)44-41(28-35)45-38-19-11-10-18-36(38)42-39(45)25-24-34-27-40(46-43(34)42)33-16-8-3-9-17-33/h1-28H
InChIKeyVBIHUQXHTXUJJL-UHFFFAOYSA-N
MW604.78 g/mol
LogP12.06
Rot. Bonds5

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

2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole (PubChem CID 118228358) has the molecular formula C43H28N2S and a molecular weight of 604.78 g/mol. Its IUPAC name is 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
PubChem CID118228358
Molecular FormulaC43H28N2S
Molecular Weight604.78 g/mol
Exact Mass604.20
IUPAC Name2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6sc(-c7ccccc7)cc6ccc54)c3)cc2)cc1
InChIInChI=1S/C43H28N2S/c1-4-12-29(13-5-1)30-20-22-31(23-21-30)35-26-37(32-14-6-2-7-15-32)44-41(28-35)45-38-19-11-10-18-36(38)42-39(45)25-24-34-27-40(46-43(34)42)33-16-8-3-9-17-33/h1-28H
InChIKeyVBIHUQXHTXUJJL-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-diphenyl-2-pyridinyl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228493
2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
CID 118228059
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-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
CID 118229469
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-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole
CID 118229503
6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
CID 118227971
CID 144976472
CID 144976472
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole?
The IUPAC name of 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole (CID 118228358) is 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole?
The canonical SMILES for 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6sc(-c7ccccc7)cc6ccc54)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole?
The InChIKey is VBIHUQXHTXUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S/c1-4-12-29(13-5-1)30-20-22-31(23-21-30)35-26-37(32-14-6-2-7-15-32)44-41(28-35)45-38-19-11-10-18-36(38)42-39(45)25-24-34-27-40(46-43(34)42)33-16-8-3-9-17-33/h1-28H.
What are the key properties of 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole?
2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[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 2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118228358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).