2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole

C58H36N8S — CID 122594001

IUPAC2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9nccc(-c%10cccc(-c%11ccccc%11)c%10)n9)c8c7)s6)cc54)n3)c2)cc1
InChIInChI=1S/C58H36N8S/c1-3-13-37(14-4-1)39-17-11-19-41(33-39)49-29-31-59-57(61-49)65-51-23-9-7-21-45(51)47-27-25-43(35-53(47)65)55-63-64-56(67-55)44-26-28-48-46-22-8-10-24-52(46)66(54(48)36-44)58-60-32-30-50(62-58)42-20-12-18-40(34-42)38-15-5-2-6-16-38/h1-36H
InChIKeyJJNTZKQHQXXOCF-UHFFFAOYSA-N
MW877.05 g/mol
LogP14.31
Rot. Bonds8

About 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole

2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole (PubChem CID 122594001) has the molecular formula C58H36N8S and a molecular weight of 877.05 g/mol. Its IUPAC name is 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole
PubChem CID122594001
Molecular FormulaC58H36N8S
Molecular Weight877.05 g/mol
Exact Mass876.28
IUPAC Name2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9nccc(-c%10cccc(-c%11ccccc%11)c%10)n9)c8c7)s6)cc54)n3)c2)cc1
InChIInChI=1S/C58H36N8S/c1-3-13-37(14-4-1)39-17-11-19-41(33-39)49-29-31-59-57(61-49)65-51-23-9-7-21-45(51)47-27-25-43(35-53(47)65)55-63-64-56(67-55)44-26-28-48-46-22-8-10-24-52(46)66(54(48)36-44)58-60-32-30-50(62-58)42-20-12-18-40(34-42)38-15-5-2-6-16-38/h1-36H
InChIKeyJJNTZKQHQXXOCF-UHFFFAOYSA-N
XLogP14.31
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.05
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 126582844
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
CID 118133174
3-(9-ethylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086417
3-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158689854
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139
5-[4-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 163545028
3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
2-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235204
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole
CID 122593954

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole (CID 122594001) is 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole is c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9nccc(-c%10cccc(-c%11ccccc%11)c%10)n9)c8c7)s6)cc54)n3)c2)cc1.
What is the InChIKey of 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole?
The InChIKey is JJNTZKQHQXXOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N8S/c1-3-13-37(14-4-1)39-17-11-19-41(33-39)49-29-31-59-57(61-49)65-51-23-9-7-21-45(51)47-27-25-43(35-53(47)65)55-63-64-56(67-55)44-26-28-48-46-22-8-10-24-52(46)66(54(48)36-44)58-60-32-30-50(62-58)42-20-12-18-40(34-42)38-15-5-2-6-16-38/h1-36H.
What are the key properties of 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole?
2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole has a molecular weight of 877.05 g/mol, XLogP of 14.31, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 122594001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).