bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane

C103H130N10O10 — CID 158653825

IUPACbis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane
SMILESCC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.O=C(NC1=CC=CC1)C(=O)c1c[nH]c2ccccc12.O=C(NC1=CC=CC1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/3C16H12N2O2.2C15H12N2O2.5C3H8.5C2H6/c3*19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;2*18-14(15(19)17-10-5-1-2-6-10)12-9-16-13-8-4-3-7-11(12)13;5*1-3-2;5*1-2/h3*1-10,17H,(H,18,20);2*1-5,7-9,16H,6H2,(H,17,19);5*3H2,1-2H3;5*1-2H3
InChIKeyIBWNRUWZLVOPFR-UHFFFAOYSA-N
MW1668.23 g/mol
LogP25.80
Rot. Bonds15

About bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane

bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane (PubChem CID 158653825) has the molecular formula C103H130N10O10 and a molecular weight of 1668.23 g/mol. Its IUPAC name is bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane.

Molecular Properties

Compound Namebis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane
PubChem CID158653825
Molecular FormulaC103H130N10O10
Molecular Weight1668.23 g/mol
Exact Mass1667.00
IUPAC Namebis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane
SMILESCC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.O=C(NC1=CC=CC1)C(=O)c1c[nH]c2ccccc12.O=C(NC1=CC=CC1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/3C16H12N2O2.2C15H12N2O2.5C3H8.5C2H6/c3*19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;2*18-14(15(19)17-10-5-1-2-6-10)12-9-16-13-8-4-3-7-11(12)13;5*1-3-2;5*1-2/h3*1-10,17H,(H,18,20);2*1-5,7-9,16H,6H2,(H,17,19);5*3H2,1-2H3;5*1-2H3
InChIKeyIBWNRUWZLVOPFR-UHFFFAOYSA-N
XLogP25.80
TPSA309.80 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.23
LogP ≤ 525.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane?
The IUPAC name of bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane (CID 158653825) is bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane.
What is the SMILES notation for bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane?
The canonical SMILES for bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane is CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.O=C(NC1=CC=CC1)C(=O)c1c[nH]c2ccccc12.O=C(NC1=CC=CC1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane?
The InChIKey is IBWNRUWZLVOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H12N2O2.2C15H12N2O2.5C3H8.5C2H6/c3*19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;2*18-14(15(19)17-10-5-1-2-6-10)12-9-16-13-8-4-3-7-11(12)13;5*1-3-2;5*1-2/h3*1-10,17H,(H,18,20);2*1-5,7-9,16H,6H2,(H,17,19);5*3H2,1-2H3;5*1-2H3.
What are the key properties of bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane?
bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane has a molecular weight of 1668.23 g/mol, XLogP of 25.80, 15 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane is sourced from PubChem (CID 158653825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).