triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane

C34H35F3GeO2 — CID 134952313

IUPACtriphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane
SMILESCOc1ccc(COC(C/C=C(\C(F)(F)F)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C34H35F3GeO2/c1-26(2)32(40-25-27-19-21-31(39-3)22-20-27)23-24-33(34(35,36)37)38(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,24,26,32H,23,25H2,1-3H3/b33-24+
InChIKeyDJAPLJUTFDNFTR-IWBSIUBASA-N
MW605.26 g/mol
LogP6.82
Rot. Bonds11

About triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane

triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane (PubChem CID 134952313) has the molecular formula C34H35F3GeO2 and a molecular weight of 605.26 g/mol. Its IUPAC name is triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane.

Molecular Properties

Compound Nametriphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane
PubChem CID134952313
Molecular FormulaC34H35F3GeO2
Molecular Weight605.26 g/mol
Exact Mass606.18
IUPAC Nametriphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane
SMILESCOc1ccc(COC(C/C=C(\C(F)(F)F)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C34H35F3GeO2/c1-26(2)32(40-25-27-19-21-31(39-3)22-20-27)23-24-33(34(35,36)37)38(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,24,26,32H,23,25H2,1-3H3/b33-24+
InChIKeyDJAPLJUTFDNFTR-IWBSIUBASA-N
XLogP6.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.26
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane?
The IUPAC name of triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane (CID 134952313) is triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane.
What is the SMILES notation for triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane?
The canonical SMILES for triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane is COc1ccc(COC(C/C=C(\C(F)(F)F)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)C)cc1.
What is the InChIKey of triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane?
The InChIKey is DJAPLJUTFDNFTR-IWBSIUBASA-N. The full InChI is InChI=1S/C34H35F3GeO2/c1-26(2)32(40-25-27-19-21-31(39-3)22-20-27)23-24-33(34(35,36)37)38(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,24,26,32H,23,25H2,1-3H3/b33-24+.
What are the key properties of triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane?
triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane has a molecular weight of 605.26 g/mol, XLogP of 6.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane is sourced from PubChem (CID 134952313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).