6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol

C28H20F3NO — CID 18439034

IUPAC6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C28H20F3NO/c29-28(30,31)24-11-6-19(7-12-24)18-32-26(20-4-2-1-3-5-20)14-15-27(32)23-9-8-22-17-25(33)13-10-21(22)16-23/h1-17,33H,18H2
InChIKeyJXZMMYWNKBGPKZ-UHFFFAOYSA-N
MW443.47 g/mol
LogP7.75
Rot. Bonds4

About 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol

6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol (PubChem CID 18439034) has the molecular formula C28H20F3NO and a molecular weight of 443.47 g/mol. Its IUPAC name is 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol
PubChem CID18439034
Molecular FormulaC28H20F3NO
Molecular Weight443.47 g/mol
Exact Mass443.15
IUPAC Name6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C28H20F3NO/c29-28(30,31)24-11-6-19(7-12-24)18-32-26(20-4-2-1-3-5-20)14-15-27(32)23-9-8-22-17-25(33)13-10-21(22)16-23/h1-17,33H,18H2
InChIKeyJXZMMYWNKBGPKZ-UHFFFAOYSA-N
XLogP7.75
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol?
The IUPAC name of 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol (CID 18439034) is 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol?
The canonical SMILES for 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol is Oc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol?
The InChIKey is JXZMMYWNKBGPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3NO/c29-28(30,31)24-11-6-19(7-12-24)18-32-26(20-4-2-1-3-5-20)14-15-27(32)23-9-8-22-17-25(33)13-10-21(22)16-23/h1-17,33H,18H2.
What are the key properties of 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol?
6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol has a molecular weight of 443.47 g/mol, XLogP of 7.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 18439034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).