4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene

C48H20F4 — CID 132531244

IUPAC4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
SMILESFc1ccc2c(c1)c1ccc3c4cc(F)ccc4c4ccc5c6ccc(F)cc6c6ccc7c8cc(F)ccc8c8ccc2c2c8c7c6c5c4c3c12
InChIInChI=1S/C48H20F4/c49-21-1-5-25-29-9-10-30-26-6-2-22(50)18-38(26)35-15-16-36-40-20-24(52)4-8-28(40)32-12-11-31-27-7-3-23(51)19-39(27)34-14-13-33(37(25)17-21)45-41(29)42(30)46(35)48(36)44(32)43(31)47(34)45/h1-20H
InChIKeyVCXZIKIHQBCRJU-UHFFFAOYSA-N
MW672.68 g/mol
LogP14.39
Rot. Bonds

About 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene

4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene (PubChem CID 132531244) has the molecular formula C48H20F4 and a molecular weight of 672.68 g/mol. Its IUPAC name is 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene.

Molecular Properties

Compound Name4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
PubChem CID132531244
Molecular FormulaC48H20F4
Molecular Weight672.68 g/mol
Exact Mass672.15
IUPAC Name4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
SMILESFc1ccc2c(c1)c1ccc3c4cc(F)ccc4c4ccc5c6ccc(F)cc6c6ccc7c8cc(F)ccc8c8ccc2c2c8c7c6c5c4c3c12
InChIInChI=1S/C48H20F4/c49-21-1-5-25-29-9-10-30-26-6-2-22(50)18-38(26)35-15-16-36-40-20-24(52)4-8-28(40)32-12-11-31-27-7-3-23(51)19-39(27)34-14-13-33(37(25)17-21)45-41(29)42(30)46(35)48(36)44(32)43(31)47(34)45/h1-20H
InChIKeyVCXZIKIHQBCRJU-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.68
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene with MolForge

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Related Compounds

1,2,6-Trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 89129289
(4aZ,8aZ,12aZ,16aZ)-2,7,10,15-tetrafluorotetraphenylene
CID 132918883
(4aE,8aE,12aE,16aE)-1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 145784000
(1Z,7Z,17Z,23Z)-4,20-difluoroheptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 145784001
(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene
CID 163513572
(5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene
CID 163819914
7,8-Difluoro-2,3,4,5-tetrahydrochrysene
CID 175309639
(1Z,11Z,21Z,31Z)-nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 11966293
4,15,24,35-Tetramethyltridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
CID 132531242
(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 134866409
CID 152498371
CID 152498371
7,9-Difluoro-2,3,4,5-tetrahydrochrysene
CID 174828808

Frequently Asked Questions

What is the IUPAC name of 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
The IUPAC name of 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene (CID 132531244) is 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene.
What is the SMILES notation for 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
The canonical SMILES for 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene is Fc1ccc2c(c1)c1ccc3c4cc(F)ccc4c4ccc5c6ccc(F)cc6c6ccc7c8cc(F)ccc8c8ccc2c2c8c7c6c5c4c3c12.
What is the InChIKey of 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
The InChIKey is VCXZIKIHQBCRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H20F4/c49-21-1-5-25-29-9-10-30-26-6-2-22(50)18-38(26)35-15-16-36-40-20-24(52)4-8-28(40)32-12-11-31-27-7-3-23(51)19-39(27)34-14-13-33(37(25)17-21)45-41(29)42(30)46(35)48(36)44(32)43(31)47(34)45/h1-20H.
What are the key properties of 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene has a molecular weight of 672.68 g/mol, XLogP of 14.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15,24,35-tetrafluorotridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene is sourced from PubChem (CID 132531244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).