10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene

C39H18F10 — CID 122388116

IUPAC10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene
SMILESFc1c(F)c(F)c(-c2cc3ccccc3c3c2CC2=C(CC=C2)Cc2c(-c4c(F)c(F)c(F)c(F)c4F)cc4ccccc4c2-3)c(F)c1F
InChIInChI=1S/C39H18F10/c40-30-28(31(41)35(45)38(48)34(30)44)24-14-18-6-1-3-10-20(18)26-22(24)12-16-8-5-9-17(16)13-23-25(15-19-7-2-4-11-21(19)27(23)26)29-32(42)36(46)39(49)37(47)33(29)43/h1-8,10-11,14-15H,9,12-13H2
InChIKeyZKXICPPIKUZZCT-UHFFFAOYSA-N
MW676.55 g/mol
LogP11.74
Rot. Bonds2

About 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene

10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene (PubChem CID 122388116) has the molecular formula C39H18F10 and a molecular weight of 676.55 g/mol. Its IUPAC name is 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene.

Molecular Properties

Compound Name10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene
PubChem CID122388116
Molecular FormulaC39H18F10
Molecular Weight676.55 g/mol
Exact Mass676.12
IUPAC Name10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene
SMILESFc1c(F)c(F)c(-c2cc3ccccc3c3c2CC2=C(CC=C2)Cc2c(-c4c(F)c(F)c(F)c(F)c4F)cc4ccccc4c2-3)c(F)c1F
InChIInChI=1S/C39H18F10/c40-30-28(31(41)35(45)38(48)34(30)44)24-14-18-6-1-3-10-20(18)26-22(24)12-16-8-5-9-17(16)13-23-25(15-19-7-2-4-11-21(19)27(23)26)29-32(42)36(46)39(49)37(47)33(29)43/h1-8,10-11,14-15H,9,12-13H2
InChIKeyZKXICPPIKUZZCT-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.55
LogP ≤ 511.74
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'}

Analyze 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134953859
CID 134953859
4-phenyl-3H-cyclopenta[b]naphthalene
CID 23626827
tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
CID 157096961
heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene
CID 58130571
10',16'-bis(3,4,5-trifluorophenyl)spiro[1,4,7,10-tetraoxa-13-azoniacyclopentadecane-13,13'-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene] bromide
CID 11354867
10',16'-bis(3,4,5-trifluorophenyl)-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 5095840
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294
10,16-bis[4-(3,4,5-trifluorophenyl)phenyl]spiro[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,1'-azocan-1-ium]
CID 88960290
1',2',10',11'-tetramethyl-10,16-bis(3,4,5-trifluorophenyl)spiro[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,6'-5,7-dihydrobenzo[d][2]benzazepin-6-ium]
CID 59193688
13,14,15,16-tetrafluoro-9,20-di(phenanthren-9-yl)hexacyclo[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 59805338
2-(4-naphthalen-1-ylphenyl)-4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 156695703

Frequently Asked Questions

What is the IUPAC name of 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene?
The IUPAC name of 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene (CID 122388116) is 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene.
What is the SMILES notation for 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene?
The canonical SMILES for 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene is Fc1c(F)c(F)c(-c2cc3ccccc3c3c2CC2=C(CC=C2)Cc2c(-c4c(F)c(F)c(F)c(F)c4F)cc4ccccc4c2-3)c(F)c1F.
What is the InChIKey of 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene?
The InChIKey is ZKXICPPIKUZZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H18F10/c40-30-28(31(41)35(45)38(48)34(30)44)24-14-18-6-1-3-10-20(18)26-22(24)12-16-8-5-9-17(16)13-23-25(15-19-7-2-4-11-21(19)27(23)26)29-32(42)36(46)39(49)37(47)33(29)43/h1-8,10-11,14-15H,9,12-13H2.
What are the key properties of 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene?
10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene has a molecular weight of 676.55 g/mol, XLogP of 11.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene is sourced from PubChem (CID 122388116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).