2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

C31H22N4S — CID 160525269

IUPAC2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5nc6cccnc6s5)cc4)n3)cc21
InChIInChI=1S/C31H22N4S/c1-31(2)24-7-4-3-6-22(24)23-14-13-21(18-25(23)31)26-15-17-32-28(34-26)19-9-11-20(12-10-19)29-35-27-8-5-16-33-30(27)36-29/h3-18H,1-2H3
InChIKeyQUUNMSQJCNBFPY-UHFFFAOYSA-N
MW482.61 g/mol
LogP7.79
Rot. Bonds3

About 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 160525269) has the molecular formula C31H22N4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID160525269
Molecular FormulaC31H22N4S
Molecular Weight482.61 g/mol
Exact Mass482.16
IUPAC Name2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5nc6cccnc6s5)cc4)n3)cc21
InChIInChI=1S/C31H22N4S/c1-31(2)24-7-4-3-6-22(24)23-14-13-21(18-25(23)31)26-15-17-32-28(34-26)19-9-11-20(12-10-19)29-35-27-8-5-16-33-30(27)36-29/h3-18H,1-2H3
InChIKeyQUUNMSQJCNBFPY-UHFFFAOYSA-N
XLogP7.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 159691466
2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 129148134
N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 166918119
2-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 147671803
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
2-(9,9-dimethylfluoren-2-yl)-9-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167401
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
CID 88556442
2-[22-(1,3-benzothiazol-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzothiazole
CID 59413419
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
CID 118245468
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 118245460

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 160525269) is 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5nc6cccnc6s5)cc4)n3)cc21.
What is the InChIKey of 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is QUUNMSQJCNBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4S/c1-31(2)24-7-4-3-6-22(24)23-14-13-21(18-25(23)31)26-15-17-32-28(34-26)19-9-11-20(12-10-19)29-35-27-8-5-16-33-30(27)36-29/h3-18H,1-2H3.
What are the key properties of 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 482.61 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 160525269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).