7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one

C30H17F3O2 — CID 164686695

IUPAC7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one
SMILESO=c1oc2c(-c3ccccc3)c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c2c2ccccc12
InChIInChI=1S/C30H17F3O2/c31-30(32,33)20-16-14-19(15-17-20)25-21-10-4-5-11-22(21)26(18-8-2-1-3-9-18)28-27(25)23-12-6-7-13-24(23)29(34)35-28/h1-17H
InChIKeyRHUXYLUBVPQFRI-UHFFFAOYSA-N
MW466.46 g/mol
LogP8.45
Rot. Bonds2

About 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one

7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one (PubChem CID 164686695) has the molecular formula C30H17F3O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one.

Molecular Properties

Compound Name7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one
PubChem CID164686695
Molecular FormulaC30H17F3O2
Molecular Weight466.46 g/mol
Exact Mass466.12
IUPAC Name7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one
SMILESO=c1oc2c(-c3ccccc3)c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c2c2ccccc12
InChIInChI=1S/C30H17F3O2/c31-30(32,33)20-16-14-19(15-17-20)25-21-10-4-5-11-22(21)26(18-8-2-1-3-9-18)28-27(25)23-12-6-7-13-24(23)29(34)35-28/h1-17H
InChIKeyRHUXYLUBVPQFRI-UHFFFAOYSA-N
XLogP8.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-3-(trifluoromethyl)isochromen-1-one
CID 162572889
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
CID 23542883
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene;2,8-diphenyl-5,6,11,12-tetrakis(4-phenylphenyl)tetracene
CID 161431983
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
9,20-bis[4-(trifluoromethyl)phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 46177256
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one
CID 163637979
4-phenyl-3-propan-2-ylisochromen-1-one
CID 123749566
14,21-bis[4-(trifluoromethyl)phenyl]-6,8-dithiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,9,11,13,15,17,19-nonaen-7-one
CID 102097400
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one?
The IUPAC name of 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one (CID 164686695) is 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one.
What is the SMILES notation for 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one?
The canonical SMILES for 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one is O=c1oc2c(-c3ccccc3)c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c2c2ccccc12.
What is the InChIKey of 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one?
The InChIKey is RHUXYLUBVPQFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17F3O2/c31-30(32,33)20-16-14-19(15-17-20)25-21-10-4-5-11-22(21)26(18-8-2-1-3-9-18)28-27(25)23-12-6-7-13-24(23)29(34)35-28/h1-17H.
What are the key properties of 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one?
7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one has a molecular weight of 466.46 g/mol, XLogP of 8.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-12-[4-(trifluoromethyl)phenyl]naphtho[2,3-c]isochromen-5-one is sourced from PubChem (CID 164686695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).