5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole

C35H22N4S — CID 59691100

IUPAC5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3sccn3c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C35H22N4S/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)38(29)24-19-17-23(18-20-24)33-34(37-21-22-40-35(37)36-33)39-31-15-7-3-11-27(31)28-12-4-8-16-32(28)39/h1-22H
InChIKeyQBDZAPKJXLKBOA-UHFFFAOYSA-N
MW530.66 g/mol
LogP9.26
Rot. Bonds3

About 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole

5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 59691100) has the molecular formula C35H22N4S and a molecular weight of 530.66 g/mol. Its IUPAC name is 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID59691100
Molecular FormulaC35H22N4S
Molecular Weight530.66 g/mol
Exact Mass530.16
IUPAC Name5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3sccn3c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C35H22N4S/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)38(29)24-19-17-23(18-20-24)33-34(37-21-22-40-35(37)36-33)39-31-15-7-3-11-27(31)28-12-4-8-16-32(28)39/h1-22H
InChIKeyQBDZAPKJXLKBOA-UHFFFAOYSA-N
XLogP9.26
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-(3-bromoquinoxalin-2-yl)phenyl]carbazole
CID 121327158
3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole
CID 121260655
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole (CID 59691100) is 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3sccn3c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is QBDZAPKJXLKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4S/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)38(29)24-19-17-23(18-20-24)33-34(37-21-22-40-35(37)36-33)39-31-15-7-3-11-27(31)28-12-4-8-16-32(28)39/h1-22H.
What are the key properties of 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 530.66 g/mol, XLogP of 9.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59691100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).