CID 159570179

C65H204F2N8O4 — CID 159570179

IUPAC—
SMILESC.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C(O)[C@](C)(CCCO)[C@H]2CCc3c(-c4ccccc4F)nc(-c4ccnc(C5CC5)c4)nc3[C@]2(C)C1.[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@@H]2[C@@](C)(CCCO)C1=O
InChIInChI=1S/C32H33FN4O2.C32H31FN4O2.CH4.68H2/c2*1-31(14-6-16-38)26-12-11-22-27(21-7-4-5-8-23(21)33)36-30(20-13-15-35-24(17-20)19-9-10-19)37-28(22)32(26,2)18-25(34-3)29(31)39;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-5,7-8,13,15,17,19,26,38-39H,6,9-12,14,16,18H2,1-2H3;4-5,7-8,13,15,17-19,26,38H,6,9-12,14,16H2,1-2H3;1H4;68*1H/t2*26-,31-,32-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11...................................................................../s1/i;;;68*1+2T
InChIKeyMHSCYULFLAMXAC-XMTIYCDUSA-N
MW1473.49 g/mol
LogP30.48
Rot. Bonds12

About CID 159570179

CID 159570179 (PubChem CID 159570179) has the molecular formula C65H204F2N8O4 and a molecular weight of 1473.49 g/mol.

Molecular Properties

Compound NameCID 159570179
PubChem CID159570179
Molecular FormulaC65H204F2N8O4
Molecular Weight1473.49 g/mol
Exact Mass1472.72
IUPAC Name—
SMILESC.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C(O)[C@](C)(CCCO)[C@H]2CCc3c(-c4ccccc4F)nc(-c4ccnc(C5CC5)c4)nc3[C@]2(C)C1.[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@@H]2[C@@](C)(CCCO)C1=O
InChIInChI=1S/C32H33FN4O2.C32H31FN4O2.CH4.68H2/c2*1-31(14-6-16-38)26-12-11-22-27(21-7-4-5-8-23(21)33)36-30(20-13-15-35-24(17-20)19-9-10-19)37-28(22)32(26,2)18-25(34-3)29(31)39;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-5,7-8,13,15,17,19,26,38-39H,6,9-12,14,16,18H2,1-2H3;4-5,7-8,13,15,17-19,26,38H,6,9-12,14,16H2,1-2H3;1H4;68*1H/t2*26-,31-,32-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11...................................................................../s1/i;;;68*1+2T
InChIKeyMHSCYULFLAMXAC-XMTIYCDUSA-N
XLogP30.48
TPSA163.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001473.49
LogP ≤ 530.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of CID 159570179?
The IUPAC name of CID 159570179 (CID 159570179) is not available.
What is the SMILES notation for CID 159570179?
The canonical SMILES for CID 159570179 is C.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C(O)[C@](C)(CCCO)[C@H]2CCc3c(-c4ccccc4F)nc(-c4ccnc(C5CC5)c4)nc3[C@]2(C)C1.[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@@H]2[C@@](C)(CCCO)C1=O.
What is the InChIKey of CID 159570179?
The InChIKey is MHSCYULFLAMXAC-XMTIYCDUSA-N. The full InChI is InChI=1S/C32H33FN4O2.C32H31FN4O2.CH4.68H2/c2*1-31(14-6-16-38)26-12-11-22-27(21-7-4-5-8-23(21)33)36-30(20-13-15-35-24(17-20)19-9-10-19)37-28(22)32(26,2)18-25(34-3)29(31)39;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-5,7-8,13,15,17,19,26,38-39H,6,9-12,14,16,18H2,1-2H3;4-5,7-8,13,15,17-19,26,38H,6,9-12,14,16H2,1-2H3;1H4;68*1H/t2*26-,31-,32-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11...................................................................../s1/i;;;68*1+2T.
What are the key properties of CID 159570179?
CID 159570179 has a molecular weight of 1473.49 g/mol, XLogP of 30.48, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159570179 is sourced from PubChem (CID 159570179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).