9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene

C41H25F3 — CID 153332778

IUPAC9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
SMILESFC(F)(F)c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C41H25F3/c42-41(43,44)34-20-17-28(18-21-34)31-19-22-37-38(25-31)40(33-16-14-27-8-2-4-10-30(27)24-33)36-12-6-5-11-35(36)39(37)32-15-13-26-7-1-3-9-29(26)23-32/h1-25H
InChIKeyKXERDXBFMUYHBP-UHFFFAOYSA-N
MW574.65 g/mol
LogP12.32
Rot. Bonds3

About 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene

9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 153332778) has the molecular formula C41H25F3 and a molecular weight of 574.65 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID153332778
Molecular FormulaC41H25F3
Molecular Weight574.65 g/mol
Exact Mass574.19
IUPAC Name9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
SMILESFC(F)(F)c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C41H25F3/c42-41(43,44)34-20-17-28(18-21-34)31-19-22-37-38(25-31)40(33-16-14-27-8-2-4-10-30(27)24-33)36-12-6-5-11-35(36)39(37)32-15-13-26-7-1-3-9-29(26)23-32/h1-25H
InChIKeyKXERDXBFMUYHBP-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.65
LogP ≤ 512.32
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

9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene (CID 153332778) is 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene is FC(F)(F)c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is KXERDXBFMUYHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3/c42-41(43,44)34-20-17-28(18-21-34)31-19-22-37-38(25-31)40(33-16-14-27-8-2-4-10-30(27)24-33)36-12-6-5-11-35(36)39(37)32-15-13-26-7-1-3-9-29(26)23-32/h1-25H.
What are the key properties of 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene?
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 574.65 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 153332778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).