4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine

C26H18F3N3O — CID 172880278

IUPAC4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc3[nH]c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C26H18F3N3O/c1-33-20-13-9-17(10-14-20)23-21-15-22(16-5-3-2-4-6-16)30-25(21)32-24(31-23)18-7-11-19(12-8-18)26(27,28)29/h2-15H,1H3,(H,30,31,32)
InChIKeyCTEYUHKMCYWSFG-UHFFFAOYSA-N
MW445.44 g/mol
LogP6.99
Rot. Bonds4

About 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine

4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 172880278) has the molecular formula C26H18F3N3O and a molecular weight of 445.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID172880278
Molecular FormulaC26H18F3N3O
Molecular Weight445.44 g/mol
Exact Mass445.14
IUPAC Name4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc3[nH]c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C26H18F3N3O/c1-33-20-13-9-17(10-14-20)23-21-15-22(16-5-3-2-4-6-16)30-25(21)32-24(31-23)18-7-11-19(12-8-18)26(27,28)29/h2-15H,1H3,(H,30,31,32)
InChIKeyCTEYUHKMCYWSFG-UHFFFAOYSA-N
XLogP6.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
2,4-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-6-amine
CID 175490539
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 15040788
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one
CID 102153375
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
2-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
CID 171776356
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 172880278) is 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc3[nH]c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CTEYUHKMCYWSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O/c1-33-20-13-9-17(10-14-20)23-21-15-22(16-5-3-2-4-6-16)30-25(21)32-24(31-23)18-7-11-19(12-8-18)26(27,28)29/h2-15H,1H3,(H,30,31,32).
What are the key properties of 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 445.44 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 172880278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).