2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene

C34H21F — CID 142593010

IUPAC2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
SMILESFc1ccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)cc1
InChIInChI=1S/C34H21F/c35-25-17-13-23(14-18-25)34-26-8-2-1-7-22(26)15-19-27(34)24-16-20-32-30-11-4-3-9-28(30)29-10-5-6-12-31(29)33(32)21-24/h1-21H
InChIKeyHOXMMTWHQQGCRK-UHFFFAOYSA-N
MW448.54 g/mol
LogP9.77
Rot. Bonds2

About 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene

2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene (PubChem CID 142593010) has the molecular formula C34H21F and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
PubChem CID142593010
Molecular FormulaC34H21F
Molecular Weight448.54 g/mol
Exact Mass448.16
IUPAC Name2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
SMILESFc1ccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)cc1
InChIInChI=1S/C34H21F/c35-25-17-13-23(14-18-25)34-26-8-2-1-7-22(26)15-19-27(34)24-16-20-32-30-11-4-3-9-28(30)29-10-5-6-12-31(29)33(32)21-24/h1-21H
InChIKeyHOXMMTWHQQGCRK-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
1,2-diphenylnaphthalene
CID 11208267
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene
CID 147406624
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
2-(6-phenanthren-2-ylpyren-1-yl)triphenylene
CID 176846459
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
10-[4-(4-fluorophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 170374860
2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
CID 58323802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene?
The IUPAC name of 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene (CID 142593010) is 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene.
What is the SMILES notation for 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene?
The canonical SMILES for 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene is Fc1ccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene?
The InChIKey is HOXMMTWHQQGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F/c35-25-17-13-23(14-18-25)34-26-8-2-1-7-22(26)15-19-27(34)24-16-20-32-30-11-4-3-9-28(30)29-10-5-6-12-31(29)33(32)21-24/h1-21H.
What are the key properties of 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene?
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene has a molecular weight of 448.54 g/mol, XLogP of 9.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene is sourced from PubChem (CID 142593010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).