pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline

C63H101N5O2 — CID 163600376

IUPACpentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline
SMILESC1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccoc1.c1ccoc1
InChIInChI=1S/C9H7N.C8H6N2.C5H5N.5C5H12.C4H5N.2C4H4O.C4H10/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;5*1-5(2,3)4;3*1-2-4-5-3-1;1-4(2)3/h1-7H;1-6H;1-5H;5*1-4H3;1-3H,4H2;2*1-4H;4H,1-3H3
InChIKeyGXBWAPGDZGTRKA-UHFFFAOYSA-N
MW960.53 g/mol
LogP20.06
Rot. Bonds

About pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline

pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline (PubChem CID 163600376) has the molecular formula C63H101N5O2 and a molecular weight of 960.53 g/mol. Its IUPAC name is pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline.

Molecular Properties

Compound Namepentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline
PubChem CID163600376
Molecular FormulaC63H101N5O2
Molecular Weight960.53 g/mol
Exact Mass959.80
IUPAC Namepentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline
SMILESC1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccoc1.c1ccoc1
InChIInChI=1S/C9H7N.C8H6N2.C5H5N.5C5H12.C4H5N.2C4H4O.C4H10/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;5*1-5(2,3)4;3*1-2-4-5-3-1;1-4(2)3/h1-7H;1-6H;1-5H;5*1-4H3;1-3H,4H2;2*1-4H;4H,1-3H3
InChIKeyGXBWAPGDZGTRKA-UHFFFAOYSA-N
XLogP20.06
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.53
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methylpropane);quinoline
CID 159945466
benzene;methane;naphthalene;pyridine;quinoline
CID 159165842
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
benzene;ethane;furan;1H-imidazole;pyridine;quinoline;thiophene
CID 158376258
pyridine;2-pyrimidin-2-ylpyrimidine;quinoline
CID 175435300
quinoline;quinoxaline
CID 66672759
furan;quinoxaline
CID 163781594
nickel(2+);quinoline;diiodide
CID 162206226
quinoline;tetramethylsilane
CID 91292784
1,5-naphthyridine;pyridine
CID 158398713
1,1-dichloroethane;quinoline
CID 174696538
propan-2-ol;quinoline
CID 172685699

Frequently Asked Questions

What is the IUPAC name of pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline?
The IUPAC name of pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline (CID 163600376) is pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline.
What is the SMILES notation for pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline?
The canonical SMILES for pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline is C1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccoc1.c1ccoc1.
What is the InChIKey of pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline?
The InChIKey is GXBWAPGDZGTRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.C5H5N.5C5H12.C4H5N.2C4H4O.C4H10/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;5*1-5(2,3)4;3*1-2-4-5-3-1;1-4(2)3/h1-7H;1-6H;1-5H;5*1-4H3;1-3H,4H2;2*1-4H;4H,1-3H3.
What are the key properties of pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline?
pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline has a molecular weight of 960.53 g/mol, XLogP of 20.06, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2,2-dimethylpropane);furan;2-methylpropane;pyridine;2H-pyrrole;quinoline;quinoxaline is sourced from PubChem (CID 163600376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).