16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene

C35H18F6 — CID 59838838

IUPAC16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene
SMILESFc1ccc(-c2c3c(c(-c4ccc(F)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)C(F)(F)CC4(F)F)cc1
InChIInChI=1S/C35H18F6/c36-20-9-5-18(6-10-20)28-22-3-1-2-4-23(22)29(19-7-11-21(37)12-8-19)32-25-14-16-27-33-26(34(38,39)17-35(27,40)41)15-13-24(30(25)33)31(28)32/h1-16H,17H2
InChIKeyPYXKNJAZZOEIEF-UHFFFAOYSA-N
MW552.52 g/mol
LogP10.84
Rot. Bonds2

About 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene

16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene (PubChem CID 59838838) has the molecular formula C35H18F6 and a molecular weight of 552.52 g/mol. Its IUPAC name is 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene.

Molecular Properties

Compound Name16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene
PubChem CID59838838
Molecular FormulaC35H18F6
Molecular Weight552.52 g/mol
Exact Mass552.13
IUPAC Name16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene
SMILESFc1ccc(-c2c3c(c(-c4ccc(F)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)C(F)(F)CC4(F)F)cc1
InChIInChI=1S/C35H18F6/c36-20-9-5-18(6-10-20)28-22-3-1-2-4-23(22)29(19-7-11-21(37)12-8-19)32-25-14-16-27-33-26(34(38,39)17-35(27,40)41)15-13-24(30(25)33)31(28)32/h1-16H,17H2
InChIKeyPYXKNJAZZOEIEF-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.52
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene with MolForge

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Related Compounds

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
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-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
3,7,14,21,28,32,39,46-octakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4,6(29),7,9,11,13,15,17,19,21,23,25,27,30,32,34,36,38,40,42,44,46,48(52),49,53-heptacosaene
CID 140722712
3,5,8,10,17,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722791
2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155101
3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 121401505
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
CID 89166315
7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142912
25',32'-bis(4-fluorophenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6,8,10,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]
CID 89417299
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Frequently Asked Questions

What is the IUPAC name of 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene?
The IUPAC name of 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene (CID 59838838) is 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene.
What is the SMILES notation for 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene?
The canonical SMILES for 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene is Fc1ccc(-c2c3c(c(-c4ccc(F)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)C(F)(F)CC4(F)F)cc1.
What is the InChIKey of 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene?
The InChIKey is PYXKNJAZZOEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H18F6/c36-20-9-5-18(6-10-20)28-22-3-1-2-4-23(22)29(19-7-11-21(37)12-8-19)32-25-14-16-27-33-26(34(38,39)17-35(27,40)41)15-13-24(30(25)33)31(28)32/h1-16H,17H2.
What are the key properties of 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene?
16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene has a molecular weight of 552.52 g/mol, XLogP of 10.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene is sourced from PubChem (CID 59838838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).