2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene

C31H18F6O — CID 21339664

IUPAC2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene
SMILESFC(F)(F)c1ccc(C2(c3ccccc3)C=Cc3c(C(F)(F)F)cc4ccc5ccccc5c4c3O2)cc1
InChIInChI=1S/C31H18F6O/c32-30(33,34)23-14-12-22(13-15-23)29(21-7-2-1-3-8-21)17-16-25-26(31(35,36)37)18-20-11-10-19-6-4-5-9-24(19)27(20)28(25)38-29/h1-18H
InChIKeyWYXCWNLTAZFUGZ-UHFFFAOYSA-N
MW520.47 g/mol
LogP9.38
Rot. Bonds2

About 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene

2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene (PubChem CID 21339664) has the molecular formula C31H18F6O and a molecular weight of 520.47 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene
PubChem CID21339664
Molecular FormulaC31H18F6O
Molecular Weight520.47 g/mol
Exact Mass520.13
IUPAC Name2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene
SMILESFC(F)(F)c1ccc(C2(c3ccccc3)C=Cc3c(C(F)(F)F)cc4ccc5ccccc5c4c3O2)cc1
InChIInChI=1S/C31H18F6O/c32-30(33,34)23-14-12-22(13-15-23)29(21-7-2-1-3-8-21)17-16-25-26(31(35,36)37)18-20-11-10-19-6-4-5-9-24(19)27(20)28(25)38-29/h1-18H
InChIKeyWYXCWNLTAZFUGZ-UHFFFAOYSA-N
XLogP9.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene?
The IUPAC name of 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene (CID 21339664) is 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene.
What is the SMILES notation for 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene?
The canonical SMILES for 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene is FC(F)(F)c1ccc(C2(c3ccccc3)C=Cc3c(C(F)(F)F)cc4ccc5ccccc5c4c3O2)cc1.
What is the InChIKey of 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene?
The InChIKey is WYXCWNLTAZFUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F6O/c32-30(33,34)23-14-12-22(13-15-23)29(21-7-2-1-3-8-21)17-16-25-26(31(35,36)37)18-20-11-10-19-6-4-5-9-24(19)27(20)28(25)38-29/h1-18H.
What are the key properties of 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene?
2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene has a molecular weight of 520.47 g/mol, XLogP of 9.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphtho[2,1-h]chromene is sourced from PubChem (CID 21339664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).