CID 159426108

C307H578N34Y17-34 — CID 159426108

IUPAC—
SMILESCC1CC2(CCCN2C)C1.CC1CC2(CCN(C)C2)C1.CC1CCC12CCCCN2C.CC1CCC12CCCN2C.CC1CCC12CCN(C)C2.CC1CCC12CCN(C)CC2.CC1CCC2(CC1)CCN2C.CC1CCC2(CC1)CN(C)C2.CC1CCC2(CCCN2C)C1.CC1CCC2(CCN(C)C2)C1.CC1CCC2(CCN2C)C1.CC1CCCC12CCCN2C.CC1CCCC12CCN(C)C2.CC1CCCC12CCN2C.CC1CCCC2(C1)CN(C)C2.CC1CCCC2(CCC2C)C1.CC1CCCC2(CCN2C)C1.CC1CCCCC12CN(C)C2.[CH2-]C1([CH2-])CCCCN1C.[CH2-]C1([CH2-])CCCN(C)C1.[CH2-]C1([CH2-])CCCN1C.[CH2-]C1([CH2-])CCN(C)C1.[CH2-]C1([CH2-])CCN(C)CC1.[CH2-]CC1(C[CH2-])CCN1C.[CH2-]CC1(C[CH2-])CN(C)C1.[CH2-]CC1([CH2-])CCCN1C.[CH2-]CC1([CH2-])CCN(C)C1.[CH2-]CC1([CH2-])CCN1C.[CH2-]CCC1([CH2-])CCN1C.[CH2-]CCC1([CH2-])CN(C)C1.[CH2-]CCC[C-]1CN(C)C1.[CH2-]CC[C-]1CCN(C)C1.[CH2-]C[C-]1CCCN(C)C1.[CH2-]C[C-]1CCN(C)C1.[CH2-]C[C-]1CCN(C)CC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H20.11C10H19N.6C9H17N.13C8H15N.4C7H13N.17Y/c1-9-4-3-6-11(8-9)7-5-10(11)2;1-9-3-5-10(6-4-9)7-11(2)8-10;1-9-3-5-10(6-4-9)7-8-11(10)2;1-9-4-6-10(8-9)5-3-7-11(10)2;1-9-5-3-6-10(9)7-4-8-11(10)2;1-9-3-4-10(9)5-7-11(2)8-6-10;1-9-3-4-10(7-9)5-6-11(2)8-10;1-9-5-7-10(9)6-3-4-8-11(10)2;1-9-4-3-5-10(6-9)7-11(2)8-10;1-9-4-3-5-10(9)6-7-11(2)8-10;1-9-4-3-5-10(8-9)6-7-11(10)2;1-9-5-3-4-6-10(9)7-11(2)8-10;1-8-4-6-9(8)5-3-7-10(9)2;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(8)5-6-10(2)7-9;1-8-3-4-9(7-8)5-6-10(9)2;1-8-6-9(7-8)4-3-5-10(9)2;1-8-4-3-5-9(8)6-7-10(9)2;1-8(2)4-6-9(3)7-5-8;1-8(2)5-4-6-9(3)7-8;1-8(2)6-4-5-7-9(8)3;1-4-8(2)5-6-9(3)7-8;1-4-8(2)6-5-7-9(8)3;1-4-5-8(2)6-9(3)7-8;1-4-5-8(2)6-7-9(8)3;1-4-8(5-2)6-9(3)7-8;1-4-8(5-2)6-7-9(8)3;1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;1-3-4-8-5-6-9(2)7-8;1-3-4-5-8-6-9(2)7-8;1-7(2)4-5-8(3)6-7;1-7(2)5-4-6-8(7)3;1-4-7(2)5-6-8(7)3;1-3-7-4-5-8(2)6-7;;;;;;;;;;;;;;;;;/h9-10H,3-8H2,1-2H3;11*9H,3-8H2,1-2H3;6*8H,3-7H2,1-2H3;9*1-2,4-7H2,3H3;4*1,3-7H2,2H3;3*1-2,4-6H2,3H3;1,3-6H2,2H3;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;17*-2;;;;;;;;;;;;;;;;;
InChIKeyMLHAURKIJQENJX-UHFFFAOYSA-N
MW6257.64 g/mol
LogP61.94
Rot. Bonds19

About CID 159426108

CID 159426108 (PubChem CID 159426108) has the molecular formula C307H578N34Y17-34 and a molecular weight of 6257.64 g/mol.

Molecular Properties

Compound NameCID 159426108
PubChem CID159426108
Molecular FormulaC307H578N34Y17-34
Molecular Weight6257.64 g/mol
Exact Mass6254.05
IUPAC Name—
SMILESCC1CC2(CCCN2C)C1.CC1CC2(CCN(C)C2)C1.CC1CCC12CCCCN2C.CC1CCC12CCCN2C.CC1CCC12CCN(C)C2.CC1CCC12CCN(C)CC2.CC1CCC2(CC1)CCN2C.CC1CCC2(CC1)CN(C)C2.CC1CCC2(CCCN2C)C1.CC1CCC2(CCN(C)C2)C1.CC1CCC2(CCN2C)C1.CC1CCCC12CCCN2C.CC1CCCC12CCN(C)C2.CC1CCCC12CCN2C.CC1CCCC2(C1)CN(C)C2.CC1CCCC2(CCC2C)C1.CC1CCCC2(CCN2C)C1.CC1CCCCC12CN(C)C2.[CH2-]C1([CH2-])CCCCN1C.[CH2-]C1([CH2-])CCCN(C)C1.[CH2-]C1([CH2-])CCCN1C.[CH2-]C1([CH2-])CCN(C)C1.[CH2-]C1([CH2-])CCN(C)CC1.[CH2-]CC1(C[CH2-])CCN1C.[CH2-]CC1(C[CH2-])CN(C)C1.[CH2-]CC1([CH2-])CCCN1C.[CH2-]CC1([CH2-])CCN(C)C1.[CH2-]CC1([CH2-])CCN1C.[CH2-]CCC1([CH2-])CCN1C.[CH2-]CCC1([CH2-])CN(C)C1.[CH2-]CCC[C-]1CN(C)C1.[CH2-]CC[C-]1CCN(C)C1.[CH2-]C[C-]1CCCN(C)C1.[CH2-]C[C-]1CCN(C)C1.[CH2-]C[C-]1CCN(C)CC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H20.11C10H19N.6C9H17N.13C8H15N.4C7H13N.17Y/c1-9-4-3-6-11(8-9)7-5-10(11)2;1-9-3-5-10(6-4-9)7-11(2)8-10;1-9-3-5-10(6-4-9)7-8-11(10)2;1-9-4-6-10(8-9)5-3-7-11(10)2;1-9-5-3-6-10(9)7-4-8-11(10)2;1-9-3-4-10(9)5-7-11(2)8-6-10;1-9-3-4-10(7-9)5-6-11(2)8-10;1-9-5-7-10(9)6-3-4-8-11(10)2;1-9-4-3-5-10(6-9)7-11(2)8-10;1-9-4-3-5-10(9)6-7-11(2)8-10;1-9-4-3-5-10(8-9)6-7-11(10)2;1-9-5-3-4-6-10(9)7-11(2)8-10;1-8-4-6-9(8)5-3-7-10(9)2;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(8)5-6-10(2)7-9;1-8-3-4-9(7-8)5-6-10(9)2;1-8-6-9(7-8)4-3-5-10(9)2;1-8-4-3-5-9(8)6-7-10(9)2;1-8(2)4-6-9(3)7-5-8;1-8(2)5-4-6-9(3)7-8;1-8(2)6-4-5-7-9(8)3;1-4-8(2)5-6-9(3)7-8;1-4-8(2)6-5-7-9(8)3;1-4-5-8(2)6-9(3)7-8;1-4-5-8(2)6-7-9(8)3;1-4-8(5-2)6-9(3)7-8;1-4-8(5-2)6-7-9(8)3;1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;1-3-4-8-5-6-9(2)7-8;1-3-4-5-8-6-9(2)7-8;1-7(2)4-5-8(3)6-7;1-7(2)5-4-6-8(7)3;1-4-7(2)5-6-8(7)3;1-3-7-4-5-8(2)6-7;;;;;;;;;;;;;;;;;/h9-10H,3-8H2,1-2H3;11*9H,3-8H2,1-2H3;6*8H,3-7H2,1-2H3;9*1-2,4-7H2,3H3;4*1,3-7H2,2H3;3*1-2,4-6H2,3H3;1,3-6H2,2H3;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;17*-2;;;;;;;;;;;;;;;;;
InChIKeyMLHAURKIJQENJX-UHFFFAOYSA-N
XLogP61.94
TPSA110.16 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms358
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006257.64
LogP ≤ 561.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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Frequently Asked Questions

What is the IUPAC name of CID 159426108?
The IUPAC name of CID 159426108 (CID 159426108) is not available.
What is the SMILES notation for CID 159426108?
The canonical SMILES for CID 159426108 is CC1CC2(CCCN2C)C1.CC1CC2(CCN(C)C2)C1.CC1CCC12CCCCN2C.CC1CCC12CCCN2C.CC1CCC12CCN(C)C2.CC1CCC12CCN(C)CC2.CC1CCC2(CC1)CCN2C.CC1CCC2(CC1)CN(C)C2.CC1CCC2(CCCN2C)C1.CC1CCC2(CCN(C)C2)C1.CC1CCC2(CCN2C)C1.CC1CCCC12CCCN2C.CC1CCCC12CCN(C)C2.CC1CCCC12CCN2C.CC1CCCC2(C1)CN(C)C2.CC1CCCC2(CCC2C)C1.CC1CCCC2(CCN2C)C1.CC1CCCCC12CN(C)C2.[CH2-]C1([CH2-])CCCCN1C.[CH2-]C1([CH2-])CCCN(C)C1.[CH2-]C1([CH2-])CCCN1C.[CH2-]C1([CH2-])CCN(C)C1.[CH2-]C1([CH2-])CCN(C)CC1.[CH2-]CC1(C[CH2-])CCN1C.[CH2-]CC1(C[CH2-])CN(C)C1.[CH2-]CC1([CH2-])CCCN1C.[CH2-]CC1([CH2-])CCN(C)C1.[CH2-]CC1([CH2-])CCN1C.[CH2-]CCC1([CH2-])CCN1C.[CH2-]CCC1([CH2-])CN(C)C1.[CH2-]CCC[C-]1CN(C)C1.[CH2-]CC[C-]1CCN(C)C1.[CH2-]C[C-]1CCCN(C)C1.[CH2-]C[C-]1CCN(C)C1.[CH2-]C[C-]1CCN(C)CC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of CID 159426108?
The InChIKey is MLHAURKIJQENJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.11C10H19N.6C9H17N.13C8H15N.4C7H13N.17Y/c1-9-4-3-6-11(8-9)7-5-10(11)2;1-9-3-5-10(6-4-9)7-11(2)8-10;1-9-3-5-10(6-4-9)7-8-11(10)2;1-9-4-6-10(8-9)5-3-7-11(10)2;1-9-5-3-6-10(9)7-4-8-11(10)2;1-9-3-4-10(9)5-7-11(2)8-6-10;1-9-3-4-10(7-9)5-6-11(2)8-10;1-9-5-7-10(9)6-3-4-8-11(10)2;1-9-4-3-5-10(6-9)7-11(2)8-10;1-9-4-3-5-10(9)6-7-11(2)8-10;1-9-4-3-5-10(8-9)6-7-11(10)2;1-9-5-3-4-6-10(9)7-11(2)8-10;1-8-4-6-9(8)5-3-7-10(9)2;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(8)5-6-10(2)7-9;1-8-3-4-9(7-8)5-6-10(9)2;1-8-6-9(7-8)4-3-5-10(9)2;1-8-4-3-5-9(8)6-7-10(9)2;1-8(2)4-6-9(3)7-5-8;1-8(2)5-4-6-9(3)7-8;1-8(2)6-4-5-7-9(8)3;1-4-8(2)5-6-9(3)7-8;1-4-8(2)6-5-7-9(8)3;1-4-5-8(2)6-9(3)7-8;1-4-5-8(2)6-7-9(8)3;1-4-8(5-2)6-9(3)7-8;1-4-8(5-2)6-7-9(8)3;1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;1-3-4-8-5-6-9(2)7-8;1-3-4-5-8-6-9(2)7-8;1-7(2)4-5-8(3)6-7;1-7(2)5-4-6-8(7)3;1-4-7(2)5-6-8(7)3;1-3-7-4-5-8(2)6-7;;;;;;;;;;;;;;;;;/h9-10H,3-8H2,1-2H3;11*9H,3-8H2,1-2H3;6*8H,3-7H2,1-2H3;9*1-2,4-7H2,3H3;4*1,3-7H2,2H3;3*1-2,4-6H2,3H3;1,3-6H2,2H3;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;17*-2;;;;;;;;;;;;;;;;;.
What are the key properties of CID 159426108?
CID 159426108 has a molecular weight of 6257.64 g/mol, XLogP of 61.94, 19 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159426108 is sourced from PubChem (CID 159426108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).