CID 173220757

C348H342F42N24O18Sb6 — CID 173220757

IUPAC—
SMILESCC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-]
InChIInChI=1S/12C29H28F3N2.6FH.18O.6Sb/c12*1-29(2)23-7-3-4-8-26(23)34(19-21-17-24(30)28(32)25(31)18-21)27(29)14-11-20-9-12-22(13-10-20)33-15-5-6-16-33;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*3-4,7-14,17-18H,5-6,15-16,19H2,1-2H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeyNZDWCGNVZTZXPO-UHFFFAOYSA-N
MW6677.19 g/mol
LogP67.58
Rot. Bonds60

About CID 173220757

CID 173220757 (PubChem CID 173220757) has the molecular formula C348H342F42N24O18Sb6 and a molecular weight of 6677.19 g/mol.

Molecular Properties

Compound NameCID 173220757
PubChem CID173220757
Molecular FormulaC348H342F42N24O18Sb6
Molecular Weight6677.19 g/mol
Exact Mass6668.01
IUPAC Name—
SMILESCC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-]
InChIInChI=1S/12C29H28F3N2.6FH.18O.6Sb/c12*1-29(2)23-7-3-4-8-26(23)34(19-21-17-24(30)28(32)25(31)18-21)27(29)14-11-20-9-12-22(13-10-20)33-15-5-6-16-33;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*3-4,7-14,17-18H,5-6,15-16,19H2,1-2H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeyNZDWCGNVZTZXPO-UHFFFAOYSA-N
XLogP67.58
TPSA454.14 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds60
Heavy Atoms438
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006677.19
LogP ≤ 567.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Frequently Asked Questions

What is the IUPAC name of CID 173220757?
The IUPAC name of CID 173220757 (CID 173220757) is not available.
What is the SMILES notation for CID 173220757?
The canonical SMILES for CID 173220757 is CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.CC1(C)C(C=Cc2ccc(N3CCCC3)cc2)=[N+](Cc2cc(F)c(F)c(F)c2)c2ccccc21.F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].
What is the InChIKey of CID 173220757?
The InChIKey is NZDWCGNVZTZXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/12C29H28F3N2.6FH.18O.6Sb/c12*1-29(2)23-7-3-4-8-26(23)34(19-21-17-24(30)28(32)25(31)18-21)27(29)14-11-20-9-12-22(13-10-20)33-15-5-6-16-33;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*3-4,7-14,17-18H,5-6,15-16,19H2,1-2H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;.
What are the key properties of CID 173220757?
CID 173220757 has a molecular weight of 6677.19 g/mol, XLogP of 67.58, 60 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173220757 is sourced from PubChem (CID 173220757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).