2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole

C44H36N6S2 — CID 135250368

IUPAC2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NC(C)(C)CS6)nc5)ccc43)cn2)=N1
InChIInChI=1S/C44H36N6S2/c1-43(2)25-51-41(47-43)35-17-15-29(23-45-35)49-37-11-7-5-9-31(37)33-21-27(13-19-39(33)49)28-14-20-40-34(22-28)32-10-6-8-12-38(32)50(40)30-16-18-36(46-24-30)42-48-44(3,4)26-52-42/h5-24H,25-26H2,1-4H3
InChIKeyAJHLUCQLLZOICT-UHFFFAOYSA-N
MW712.95 g/mol
LogP10.88
Rot. Bonds5

About 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole

2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole (PubChem CID 135250368) has the molecular formula C44H36N6S2 and a molecular weight of 712.95 g/mol. Its IUPAC name is 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
PubChem CID135250368
Molecular FormulaC44H36N6S2
Molecular Weight712.95 g/mol
Exact Mass712.24
IUPAC Name2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NC(C)(C)CS6)nc5)ccc43)cn2)=N1
InChIInChI=1S/C44H36N6S2/c1-43(2)25-51-41(47-43)35-17-15-29(23-45-35)49-37-11-7-5-9-31(37)33-21-27(13-19-39(33)49)28-14-20-40-34(22-28)32-10-6-8-12-38(32)50(40)30-16-18-36(46-24-30)42-48-44(3,4)26-52-42/h5-24H,25-26H2,1-4H3
InChIKeyAJHLUCQLLZOICT-UHFFFAOYSA-N
XLogP10.88
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.95
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
CID 135250364
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 118699054
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163560758
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250365
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The IUPAC name of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole (CID 135250368) is 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole.
What is the SMILES notation for 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The canonical SMILES for 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole is CC1(C)CSC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NC(C)(C)CS6)nc5)ccc43)cn2)=N1.
What is the InChIKey of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The InChIKey is AJHLUCQLLZOICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6S2/c1-43(2)25-51-41(47-43)35-17-15-29(23-45-35)49-37-11-7-5-9-31(37)33-21-27(13-19-39(33)49)28-14-20-40-34(22-28)32-10-6-8-12-38(32)50(40)30-16-18-36(46-24-30)42-48-44(3,4)26-52-42/h5-24H,25-26H2,1-4H3.
What are the key properties of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole has a molecular weight of 712.95 g/mol, XLogP of 10.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole is sourced from PubChem (CID 135250368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).