15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene

C42H22F6 — CID 122205192

IUPAC15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c3c4ccccc4c4c5ccccc5c(-c5ccc(C(F)(F)F)cc5)c5ccc2c3c54)cc1
InChIInChI=1S/C42H22F6/c43-41(44,45)25-17-13-23(14-18-25)35-27-7-1-3-9-29(27)37-31-11-5-6-12-32(31)38-30-10-4-2-8-28(30)36(34-22-21-33(35)39(37)40(34)38)24-15-19-26(20-16-24)42(46,47)48/h1-22H
InChIKeyVKBUFUCXUKUAFD-UHFFFAOYSA-N
MW640.63 g/mol
LogP13.42
Rot. Bonds2

About 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene

15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene (PubChem CID 122205192) has the molecular formula C42H22F6 and a molecular weight of 640.63 g/mol. Its IUPAC name is 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene.

Molecular Properties

Compound Name15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
PubChem CID122205192
Molecular FormulaC42H22F6
Molecular Weight640.63 g/mol
Exact Mass640.16
IUPAC Name15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c3c4ccccc4c4c5ccccc5c(-c5ccc(C(F)(F)F)cc5)c5ccc2c3c54)cc1
InChIInChI=1S/C42H22F6/c43-41(44,45)25-17-13-23(14-18-25)35-27-7-1-3-9-29(27)37-31-11-5-6-12-32(31)38-30-10-4-2-8-28(30)36(34-22-21-33(35)39(37)40(34)38)24-15-19-26(20-16-24)42(46,47)48/h1-22H
InChIKeyVKBUFUCXUKUAFD-UHFFFAOYSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.63
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene with MolForge

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Related Compounds

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CID 46177256
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CID 132515075
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CID 161431983
5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
CID 59183616
2-methyl-7-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]pyrene
CID 167155102
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CID 169227849
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Frequently Asked Questions

What is the IUPAC name of 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene?
The IUPAC name of 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene (CID 122205192) is 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene.
What is the SMILES notation for 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene?
The canonical SMILES for 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene is FC(F)(F)c1ccc(-c2c3ccccc3c3c4ccccc4c4c5ccccc5c(-c5ccc(C(F)(F)F)cc5)c5ccc2c3c54)cc1.
What is the InChIKey of 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene?
The InChIKey is VKBUFUCXUKUAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22F6/c43-41(44,45)25-17-13-23(14-18-25)35-27-7-1-3-9-29(27)37-31-11-5-6-12-32(31)38-30-10-4-2-8-28(30)36(34-22-21-33(35)39(37)40(34)38)24-15-19-26(20-16-24)42(46,47)48/h1-22H.
What are the key properties of 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene?
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene has a molecular weight of 640.63 g/mol, XLogP of 13.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene is sourced from PubChem (CID 122205192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).