5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline

C40H25F3N4OS — CID 165168056

IUPAC5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline
SMILESCc1cc2c(cc(-c3ccc(C(F)(F)F)c(Oc4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1
InChIInChI=1S/C40H25F3N4OS/c1-24-19-30-35(49-24)22-29(31-23-44-38(47-37(30)31)27-15-9-4-10-16-27)33-18-17-32(40(41,42)43)39(46-33)48-36-21-28(25-11-5-2-6-12-25)20-34(45-36)26-13-7-3-8-14-26/h2-23H,1H3
InChIKeyAUKKFUOWYPPAIM-UHFFFAOYSA-N
MW666.73 g/mol
LogP11.42
Rot. Bonds6

About 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline

5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline (PubChem CID 165168056) has the molecular formula C40H25F3N4OS and a molecular weight of 666.73 g/mol. Its IUPAC name is 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline.

Molecular Properties

Compound Name5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline
PubChem CID165168056
Molecular FormulaC40H25F3N4OS
Molecular Weight666.73 g/mol
Exact Mass666.17
IUPAC Name5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline
SMILESCc1cc2c(cc(-c3ccc(C(F)(F)F)c(Oc4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1
InChIInChI=1S/C40H25F3N4OS/c1-24-19-30-35(49-24)22-29(31-23-44-38(47-37(30)31)27-15-9-4-10-16-27)33-18-17-32(40(41,42)43)39(46-33)48-36-21-28(25-11-5-2-6-12-25)20-34(45-36)26-13-7-3-8-14-26/h2-23H,1H3
InChIKeyAUKKFUOWYPPAIM-UHFFFAOYSA-N
XLogP11.42
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.73
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline?
The IUPAC name of 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline (CID 165168056) is 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline.
What is the SMILES notation for 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline?
The canonical SMILES for 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline is Cc1cc2c(cc(-c3ccc(C(F)(F)F)c(Oc4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.
What is the InChIKey of 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline?
The InChIKey is AUKKFUOWYPPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F3N4OS/c1-24-19-30-35(49-24)22-29(31-23-44-38(47-37(30)31)27-15-9-4-10-16-27)33-18-17-32(40(41,42)43)39(46-33)48-36-21-28(25-11-5-2-6-12-25)20-34(45-36)26-13-7-3-8-14-26/h2-23H,1H3.
What are the key properties of 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline?
5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline has a molecular weight of 666.73 g/mol, XLogP of 11.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)-2-pyridinyl]-8-methyl-2-phenylthieno[2,3-h]quinazoline is sourced from PubChem (CID 165168056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).