6,13-bis(2,6-difluorophenyl)pentacene

C34H18F4 — CID 101480945

IUPAC6,13-bis(2,6-difluorophenyl)pentacene
SMILESFc1cccc(F)c1-c1c2cc3ccccc3cc2c(-c2c(F)cccc2F)c2cc3ccccc3cc12
InChIInChI=1S/C34H18F4/c35-27-11-5-12-28(36)33(27)31-23-15-19-7-1-2-8-20(19)16-24(23)32(34-29(37)13-6-14-30(34)38)26-18-22-10-4-3-9-21(22)17-25(26)31/h1-18H
InChIKeyYBALVCIADXHYBD-UHFFFAOYSA-N
MW502.51 g/mol
LogP10.19
Rot. Bonds2

About 6,13-bis(2,6-difluorophenyl)pentacene

6,13-bis(2,6-difluorophenyl)pentacene (PubChem CID 101480945) has the molecular formula C34H18F4 and a molecular weight of 502.51 g/mol. Its IUPAC name is 6,13-bis(2,6-difluorophenyl)pentacene.

Molecular Properties

Compound Name6,13-bis(2,6-difluorophenyl)pentacene
PubChem CID101480945
Molecular FormulaC34H18F4
Molecular Weight502.51 g/mol
Exact Mass502.13
IUPAC Name6,13-bis(2,6-difluorophenyl)pentacene
SMILESFc1cccc(F)c1-c1c2cc3ccccc3cc2c(-c2c(F)cccc2F)c2cc3ccccc3cc12
InChIInChI=1S/C34H18F4/c35-27-11-5-12-28(36)33(27)31-23-15-19-7-1-2-8-20(19)16-24(23)32(34-29(37)13-6-14-30(34)38)26-18-22-10-4-3-9-21(22)17-25(26)31/h1-18H
InChIKeyYBALVCIADXHYBD-UHFFFAOYSA-N
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.51
LogP ≤ 510.19
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

2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,4,5-trifluoroanthracene
CID 23235862
8-fluoro-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 140901619
magnesium;1-fluoronaphthalene;dibromide
CID 174875222
sodium;1-fluoronaphthalene;hydride
CID 174852667
6,13-difluoropentacene;6,6,13,13-tetrafluoropentacene
CID 158708056
6,13-dimethylpentacene;ethane
CID 123724624
1-(3,4,5-trifluorophenyl)anthracene
CID 87425952
14-fluoro-13,16-dimethylhexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene
CID 130209550
azane;1-fluoro-7-methylnaphthalene
CID 174703926
2-(3-fluoronaphthalen-2-yl)benzene-1,3-diol
CID 155195828
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(2,6-difluorophenyl)pentacene?
The IUPAC name of 6,13-bis(2,6-difluorophenyl)pentacene (CID 101480945) is 6,13-bis(2,6-difluorophenyl)pentacene.
What is the SMILES notation for 6,13-bis(2,6-difluorophenyl)pentacene?
The canonical SMILES for 6,13-bis(2,6-difluorophenyl)pentacene is Fc1cccc(F)c1-c1c2cc3ccccc3cc2c(-c2c(F)cccc2F)c2cc3ccccc3cc12.
What is the InChIKey of 6,13-bis(2,6-difluorophenyl)pentacene?
The InChIKey is YBALVCIADXHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F4/c35-27-11-5-12-28(36)33(27)31-23-15-19-7-1-2-8-20(19)16-24(23)32(34-29(37)13-6-14-30(34)38)26-18-22-10-4-3-9-21(22)17-25(26)31/h1-18H.
What are the key properties of 6,13-bis(2,6-difluorophenyl)pentacene?
6,13-bis(2,6-difluorophenyl)pentacene has a molecular weight of 502.51 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(2,6-difluorophenyl)pentacene is sourced from PubChem (CID 101480945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).