6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene

C58H57F3 — CID 71160148

IUPAC6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene
SMILESCCCC1(c2ccc3c(c2)C(CC)(CC)c2ccccc2-3)Cc2cc3c(cc21)C(CC)(CC)c1cc2c(cc1-3)CC2(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C58H57F3/c1-8-26-57(38-23-25-42-40-19-15-17-21-46(40)54(9-2,10-3)50(42)30-38)34-36-28-44-43-27-35-33-56(13-6,47(35)31-51(43)55(11-4,12-5)52(44)32-48(36)57)37-22-24-41-39-18-14-16-20-45(39)53(7,49(41)29-37)58(59,60)61/h14-25,27-32H,8-13,26,33-34H2,1-7H3
InChIKeyOKLWVIRGPOGVFD-UHFFFAOYSA-N
MW811.09 g/mol
LogP15.60
Rot. Bonds9

About 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene

6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene (PubChem CID 71160148) has the molecular formula C58H57F3 and a molecular weight of 811.09 g/mol. Its IUPAC name is 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene.

Molecular Properties

Compound Name6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene
PubChem CID71160148
Molecular FormulaC58H57F3
Molecular Weight811.09 g/mol
Exact Mass810.44
IUPAC Name6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene
SMILESCCCC1(c2ccc3c(c2)C(CC)(CC)c2ccccc2-3)Cc2cc3c(cc21)C(CC)(CC)c1cc2c(cc1-3)CC2(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C58H57F3/c1-8-26-57(38-23-25-42-40-19-15-17-21-46(40)54(9-2,10-3)50(42)30-38)34-36-28-44-43-27-35-33-56(13-6,47(35)31-51(43)55(11-4,12-5)52(44)32-48(36)57)37-22-24-41-39-18-14-16-20-45(39)53(7,49(41)29-37)58(59,60)61/h14-25,27-32H,8-13,26,33-34H2,1-7H3
InChIKeyOKLWVIRGPOGVFD-UHFFFAOYSA-N
XLogP15.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene?
The IUPAC name of 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene (CID 71160148) is 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene.
What is the SMILES notation for 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene?
The canonical SMILES for 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene is CCCC1(c2ccc3c(c2)C(CC)(CC)c2ccccc2-3)Cc2cc3c(cc21)C(CC)(CC)c1cc2c(cc1-3)CC2(CC)c1ccc2c(c1)C(C)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene?
The InChIKey is OKLWVIRGPOGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57F3/c1-8-26-57(38-23-25-42-40-19-15-17-21-46(40)54(9-2,10-3)50(42)30-38)34-36-28-44-43-27-35-33-56(13-6,47(35)31-51(43)55(11-4,12-5)52(44)32-48(36)57)37-22-24-41-39-18-14-16-20-45(39)53(7,49(41)29-37)58(59,60)61/h14-25,27-32H,8-13,26,33-34H2,1-7H3.
What are the key properties of 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene?
6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene has a molecular weight of 811.09 g/mol, XLogP of 15.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-diethylfluoren-2-yl)-10,10,14-triethyl-14-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-6-propylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene is sourced from PubChem (CID 71160148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).