(4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane

C38H26ClF17Ge — CID 16753130

IUPAC(4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Ge](Cc1ccc2ccccc2c1)(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C38H26ClF17Ge/c39-29-13-15-30(16-14-29)57(21-23-9-11-25-5-1-3-7-27(25)19-23,22-24-10-12-26-6-2-4-8-28(26)20-24)18-17-31(40,41)32(42,43)33(44,45)34(46,47)35(48,49)36(50,51)37(52,53)38(54,55)56/h1-16,19-20H,17-18,21-22H2
InChIKeyCWYDPYOKIZKHOV-UHFFFAOYSA-N
MW913.65 g/mol
LogP13.27
Rot. Bonds14

About (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane

(4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane (PubChem CID 16753130) has the molecular formula C38H26ClF17Ge and a molecular weight of 913.65 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane
PubChem CID16753130
Molecular FormulaC38H26ClF17Ge
Molecular Weight913.65 g/mol
Exact Mass914.07
IUPAC Name(4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Ge](Cc1ccc2ccccc2c1)(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C38H26ClF17Ge/c39-29-13-15-30(16-14-29)57(21-23-9-11-25-5-1-3-7-27(25)19-23,22-24-10-12-26-6-2-4-8-28(26)20-24)18-17-31(40,41)32(42,43)33(44,45)34(46,47)35(48,49)36(50,51)37(52,53)38(54,55)56/h1-16,19-20H,17-18,21-22H2
InChIKeyCWYDPYOKIZKHOV-UHFFFAOYSA-N
XLogP13.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.65
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane?
The IUPAC name of (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane (CID 16753130) is (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane.
What is the SMILES notation for (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane?
The canonical SMILES for (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Ge](Cc1ccc2ccccc2c1)(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane?
The InChIKey is CWYDPYOKIZKHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26ClF17Ge/c39-29-13-15-30(16-14-29)57(21-23-9-11-25-5-1-3-7-27(25)19-23,22-24-10-12-26-6-2-4-8-28(26)20-24)18-17-31(40,41)32(42,43)33(44,45)34(46,47)35(48,49)36(50,51)37(52,53)38(54,55)56/h1-16,19-20H,17-18,21-22H2.
What are the key properties of (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane?
(4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane has a molecular weight of 913.65 g/mol, XLogP of 13.27, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-bis(naphthalen-2-ylmethyl)germane is sourced from PubChem (CID 16753130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).