1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene

C30H12F8 — CID 175456398

IUPAC1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene
SMILESFc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C10F8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12/h1-12H;
InChIKeyJLSCBUHPRWFCCA-UHFFFAOYSA-N
MW524.41 g/mol
LogP9.69
Rot. Bonds

About 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene

1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene (PubChem CID 175456398) has the molecular formula C30H12F8 and a molecular weight of 524.41 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene
PubChem CID175456398
Molecular FormulaC30H12F8
Molecular Weight524.41 g/mol
Exact Mass524.08
IUPAC Name1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene
SMILESFc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C10F8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12/h1-12H;
InChIKeyJLSCBUHPRWFCCA-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.41
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
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tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
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benzene-1,2-diol;perylene
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ethane-1,2-diol;perylene
CID 87614452
3,4-dimethylperylene
CID 20583839
13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 59805293
benzo[e]pyrene
CID 9128
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771
13,14,15,16-tetrafluorohexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 11304127

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene (CID 175456398) is 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene is Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene?
The InChIKey is JLSCBUHPRWFCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C10F8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12/h1-12H;.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene?
1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene has a molecular weight of 524.41 g/mol, XLogP of 9.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene is sourced from PubChem (CID 175456398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).