9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene

C31H19F3 — CID 163898153

IUPAC9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene
SMILESFC(F)(F)c1c2ccccc2c(-c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12
InChIInChI=1S/C31H19F3/c32-31(33,34)30-27-11-5-3-9-25(27)29(26-10-4-6-12-28(26)30)22-16-13-21(14-17-22)24-18-15-20-7-1-2-8-23(20)19-24/h1-19H
InChIKeyQHMMJKGWGDVSHH-UHFFFAOYSA-N
MW448.49 g/mol
LogP9.50
Rot. Bonds2

About 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene

9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene (PubChem CID 163898153) has the molecular formula C31H19F3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene.

Molecular Properties

Compound Name9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene
PubChem CID163898153
Molecular FormulaC31H19F3
Molecular Weight448.49 g/mol
Exact Mass448.14
IUPAC Name9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene
SMILESFC(F)(F)c1c2ccccc2c(-c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12
InChIInChI=1S/C31H19F3/c32-31(33,34)30-27-11-5-3-9-25(27)29(26-10-4-6-12-28(26)30)22-16-13-21(14-17-22)24-18-15-20-7-1-2-8-23(20)19-24/h1-19H
InChIKeyQHMMJKGWGDVSHH-UHFFFAOYSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene?
The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene (CID 163898153) is 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene.
What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene?
The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene is FC(F)(F)c1c2ccccc2c(-c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12.
What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene?
The InChIKey is QHMMJKGWGDVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F3/c32-31(33,34)30-27-11-5-3-9-25(27)29(26-10-4-6-12-28(26)30)22-16-13-21(14-17-22)24-18-15-20-7-1-2-8-23(20)19-24/h1-19H.
What are the key properties of 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene?
9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene has a molecular weight of 448.49 g/mol, XLogP of 9.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene is sourced from PubChem (CID 163898153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).