CID 159433160

C60H266N8Pa — CID 159433160

IUPAC—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[H][2H].[Pa]
InChIInChI=1S/60CH4.8H3N.Pa.H2/h60*1H4;8*1H3;;1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1/hD8
InChIKeyAXFNBXGOIMMBNT-YUTGIQJRSA-N
MW1340.93 g/mol
LogP39.71
Rot. Bonds

About CID 159433160

CID 159433160 (PubChem CID 159433160) has the molecular formula C60H266N8Pa and a molecular weight of 1340.93 g/mol.

Molecular Properties

Compound NameCID 159433160
PubChem CID159433160
Molecular FormulaC60H266N8Pa
Molecular Weight1340.93 g/mol
Exact Mass1340.20
IUPAC Name—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[H][2H].[Pa]
InChIInChI=1S/60CH4.8H3N.Pa.H2/h60*1H4;8*1H3;;1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1/hD8
InChIKeyAXFNBXGOIMMBNT-YUTGIQJRSA-N
XLogP39.71
TPSA280.00 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.93
LogP ≤ 539.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 157222413
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CID 160775915
azane;methane
CID 139274260
azane;tris(carbon dioxide);deuterium monohydride;methane;heptahydrate
CID 161349818
CID 157383239
CID 157383239
CID 160957526
CID 160957526
deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)
CID 157118643
deuterium monohydride;oxidane
CID 174655249
azane;molecular hydrogen
CID 173062245
CID 101242095
CID 101242095
azane;methane;trihydrobromide
CID 174458600
azane;methane;hydrochloride
CID 162302442

Frequently Asked Questions

What is the IUPAC name of CID 159433160?
The IUPAC name of CID 159433160 (CID 159433160) is not available.
What is the SMILES notation for CID 159433160?
The canonical SMILES for CID 159433160 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[H][2H].[Pa].
What is the InChIKey of CID 159433160?
The InChIKey is AXFNBXGOIMMBNT-YUTGIQJRSA-N. The full InChI is InChI=1S/60CH4.8H3N.Pa.H2/h60*1H4;8*1H3;;1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1/hD8.
What are the key properties of CID 159433160?
CID 159433160 has a molecular weight of 1340.93 g/mol, XLogP of 39.71, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159433160 is sourced from PubChem (CID 159433160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).