1,2,3,4-tetrakis(4-fluorophenyl)triphenylene

C42H24F4 — CID 167529952

IUPAC1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c3c4ccccc4c4ccccc4c3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C42H24F4/c43-29-17-9-25(10-18-29)37-38(26-11-19-30(44)20-12-26)40(28-15-23-32(46)24-16-28)42-36-8-4-2-6-34(36)33-5-1-3-7-35(33)41(42)39(37)27-13-21-31(45)22-14-27/h1-24H
InChIKeyJLHQBMNYGFYHSG-UHFFFAOYSA-N
MW604.65 g/mol
LogP12.37
Rot. Bonds4

About 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene

1,2,3,4-tetrakis(4-fluorophenyl)triphenylene (PubChem CID 167529952) has the molecular formula C42H24F4 and a molecular weight of 604.65 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
PubChem CID167529952
Molecular FormulaC42H24F4
Molecular Weight604.65 g/mol
Exact Mass604.18
IUPAC Name1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c3c4ccccc4c4ccccc4c3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C42H24F4/c43-29-17-9-25(10-18-29)37-38(26-11-19-30(44)20-12-26)40(28-15-23-32(46)24-16-28)42-36-8-4-2-6-34(36)33-5-1-3-7-35(33)41(42)39(37)27-13-21-31(45)22-14-27/h1-24H
InChIKeyJLHQBMNYGFYHSG-UHFFFAOYSA-N
XLogP12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.65
LogP ≤ 512.37
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

2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
CID 89166315
4-(4-methylphenyl)-3,5,6-triphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 123196771
2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155318
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
9,13-diphenylphenanthro[9,10-f]isoindole-10,12-dione
CID 134982818
31,32-diphenylnonacyclo[16.14.0.02,9.03,8.010,17.011,16.019,30.022,29.023,28]dotriaconta-1(32),2(9),3,5,7,10(17),11,13,15,18,20,22(29),23,25,27,30-hexadecaene
CID 134945087
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
2,3-bis(4-fluorophenyl)-1-benzofuran
CID 71732324
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 146162694
7,25-bis(3-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,25-bis(4-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(3-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,32-bis(4-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158165747

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene?
The IUPAC name of 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene (CID 167529952) is 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene.
What is the SMILES notation for 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene?
The canonical SMILES for 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene is Fc1ccc(-c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c3c4ccccc4c4ccccc4c3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene?
The InChIKey is JLHQBMNYGFYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F4/c43-29-17-9-25(10-18-29)37-38(26-11-19-30(44)20-12-26)40(28-15-23-32(46)24-16-28)42-36-8-4-2-6-34(36)33-5-1-3-7-35(33)41(42)39(37)27-13-21-31(45)22-14-27/h1-24H.
What are the key properties of 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene?
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene has a molecular weight of 604.65 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(4-fluorophenyl)triphenylene is sourced from PubChem (CID 167529952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).