2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

C45H30N6S3 — CID 23399507

IUPAC2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1c(-c2ccccc2-c2nc3cccnc3s2)c(C)c(-c2ccccc2-c2nc3cccnc3s2)c(C)c1-c1ccccc1-c1nc2cccnc2s1
InChIInChI=1S/C45H30N6S3/c1-25-37(28-13-4-7-16-31(28)40-49-34-19-10-22-46-43(34)52-40)26(2)39(30-15-6-9-18-33(30)42-51-36-21-12-24-48-45(36)54-42)27(3)38(25)29-14-5-8-17-32(29)41-50-35-20-11-23-47-44(35)53-41/h4-24H,1-3H3
InChIKeyVECYMVMBLNTCIE-UHFFFAOYSA-N
MW750.98 g/mol
LogP12.63
Rot. Bonds6

About 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 23399507) has the molecular formula C45H30N6S3 and a molecular weight of 750.98 g/mol. Its IUPAC name is 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID23399507
Molecular FormulaC45H30N6S3
Molecular Weight750.98 g/mol
Exact Mass750.17
IUPAC Name2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1c(-c2ccccc2-c2nc3cccnc3s2)c(C)c(-c2ccccc2-c2nc3cccnc3s2)c(C)c1-c1ccccc1-c1nc2cccnc2s1
InChIInChI=1S/C45H30N6S3/c1-25-37(28-13-4-7-16-31(28)40-49-34-19-10-22-46-43(34)52-40)26(2)39(30-15-6-9-18-33(30)42-51-36-21-12-24-48-45(36)54-42)27(3)38(25)29-14-5-8-17-32(29)41-50-35-20-11-23-47-44(35)53-41/h4-24H,1-3H3
InChIKeyVECYMVMBLNTCIE-UHFFFAOYSA-N
XLogP12.63
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.98
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 23399507) is 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1c(-c2ccccc2-c2nc3cccnc3s2)c(C)c(-c2ccccc2-c2nc3cccnc3s2)c(C)c1-c1ccccc1-c1nc2cccnc2s1.
What is the InChIKey of 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is VECYMVMBLNTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6S3/c1-25-37(28-13-4-7-16-31(28)40-49-34-19-10-22-46-43(34)52-40)26(2)39(30-15-6-9-18-33(30)42-51-36-21-12-24-48-45(36)54-42)27(3)38(25)29-14-5-8-17-32(29)41-50-35-20-11-23-47-44(35)53-41/h4-24H,1-3H3.
What are the key properties of 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 750.98 g/mol, XLogP of 12.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 23399507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).