2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole

C43H27N5S — CID 122594145

IUPAC2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)[nH]c6ccccc67)s5)ccc43)c2)cc1
InChIInChI=1S/C43H27N5S/c1-3-11-27(12-4-1)31-25-37(28-13-5-2-6-14-28)45-41(26-31)48-39-18-10-8-16-34(39)35-23-29(20-22-40(35)48)42-46-47-43(49-42)30-19-21-33-32-15-7-9-17-36(32)44-38(33)24-30/h1-26,44H
InChIKeyQKUSACHKNRHQLI-UHFFFAOYSA-N
MW645.79 g/mol
LogP11.33
Rot. Bonds5

About 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole

2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole (PubChem CID 122594145) has the molecular formula C43H27N5S and a molecular weight of 645.79 g/mol. Its IUPAC name is 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
PubChem CID122594145
Molecular FormulaC43H27N5S
Molecular Weight645.79 g/mol
Exact Mass645.20
IUPAC Name2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)[nH]c6ccccc67)s5)ccc43)c2)cc1
InChIInChI=1S/C43H27N5S/c1-3-11-27(12-4-1)31-25-37(28-13-5-2-6-14-28)45-41(26-31)48-39-18-10-8-16-34(39)35-23-29(20-22-40(35)48)42-46-47-43(49-42)30-19-21-33-32-15-7-9-17-36(32)44-38(33)24-30/h1-26,44H
InChIKeyQKUSACHKNRHQLI-UHFFFAOYSA-N
XLogP11.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.79
LogP ≤ 511.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole;2,4-diphenylpyridine;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 159099116
2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride
CID 159095754
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
3-(9H-carbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole
CID 159023455
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286800
9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500953
11-(4,6-diphenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330805
[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
CID 140890322

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole (CID 122594145) is 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)[nH]c6ccccc67)s5)ccc43)c2)cc1.
What is the InChIKey of 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole?
The InChIKey is QKUSACHKNRHQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5S/c1-3-11-27(12-4-1)31-25-37(28-13-5-2-6-14-28)45-41(26-31)48-39-18-10-8-16-34(39)35-23-29(20-22-40(35)48)42-46-47-43(49-42)30-19-21-33-32-15-7-9-17-36(32)44-38(33)24-30/h1-26,44H.
What are the key properties of 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole?
2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole has a molecular weight of 645.79 g/mol, XLogP of 11.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-2-yl)-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 122594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).