2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine

C133H124N8O8 — CID 158461232

IUPAC2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(C(C#N)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(C(C#N)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cccn2)cc1.c1ccc(C(NCCN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C63H60N4.C25H24N2O3.C23H21NO3.C22H19NO2/c1-10-28-52(29-11-1)61(53-30-12-2-13-31-53,54-32-14-3-15-33-54)64-46-49-67(50-47-65-62(55-34-16-4-17-35-55,56-36-18-5-19-37-56)57-38-20-6-21-39-57)51-48-66-63(58-40-22-7-23-41-58,59-42-24-8-25-43-59)60-44-26-9-27-45-60;1-28-22-11-5-19(6-12-22)25(27-18-4-17-26-27,20-7-13-23(29-2)14-8-20)21-9-15-24(30-3)16-10-21;1-25-20-10-4-17(5-11-20)23(16-24,18-6-12-21(26-2)13-7-18)19-8-14-22(27-3)15-9-19;1-24-20-12-8-18(9-13-20)22(16-23,17-6-4-3-5-7-17)19-10-14-21(25-2)15-11-19/h1-45,64-66H,46-51H2;4-18H,1-3H3;4-15H,1-3H3;3-15H,1-2H3
InChIKeyHFETWXGKWHJSIH-UHFFFAOYSA-N
MW1962.50 g/mol
LogP25.91
Rot. Bonds39

About 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine

2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine (PubChem CID 158461232) has the molecular formula C133H124N8O8 and a molecular weight of 1962.50 g/mol. Its IUPAC name is 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine
PubChem CID158461232
Molecular FormulaC133H124N8O8
Molecular Weight1962.50 g/mol
Exact Mass1960.95
IUPAC Name2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(C(C#N)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(C(C#N)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cccn2)cc1.c1ccc(C(NCCN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C63H60N4.C25H24N2O3.C23H21NO3.C22H19NO2/c1-10-28-52(29-11-1)61(53-30-12-2-13-31-53,54-32-14-3-15-33-54)64-46-49-67(50-47-65-62(55-34-16-4-17-35-55,56-36-18-5-19-37-56)57-38-20-6-21-39-57)51-48-66-63(58-40-22-7-23-41-58,59-42-24-8-25-43-59)60-44-26-9-27-45-60;1-28-22-11-5-19(6-12-22)25(27-18-4-17-26-27,20-7-13-23(29-2)14-8-20)21-9-15-24(30-3)16-10-21;1-25-20-10-4-17(5-11-20)23(16-24,18-6-12-21(26-2)13-7-18)19-8-14-22(27-3)15-9-19;1-24-20-12-8-18(9-13-20)22(16-23,17-6-4-3-5-7-17)19-10-14-21(25-2)15-11-19/h1-45,64-66H,46-51H2;4-18H,1-3H3;4-15H,1-3H3;3-15H,1-2H3
InChIKeyHFETWXGKWHJSIH-UHFFFAOYSA-N
XLogP25.91
TPSA178.57 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.50
LogP ≤ 525.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine (CID 158461232) is 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine is COc1ccc(C(C#N)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(C(C#N)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cccn2)cc1.c1ccc(C(NCCN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine?
The InChIKey is HFETWXGKWHJSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N4.C25H24N2O3.C23H21NO3.C22H19NO2/c1-10-28-52(29-11-1)61(53-30-12-2-13-31-53,54-32-14-3-15-33-54)64-46-49-67(50-47-65-62(55-34-16-4-17-35-55,56-36-18-5-19-37-56)57-38-20-6-21-39-57)51-48-66-63(58-40-22-7-23-41-58,59-42-24-8-25-43-59)60-44-26-9-27-45-60;1-28-22-11-5-19(6-12-22)25(27-18-4-17-26-27,20-7-13-23(29-2)14-8-20)21-9-15-24(30-3)16-10-21;1-25-20-10-4-17(5-11-20)23(16-24,18-6-12-21(26-2)13-7-18)19-8-14-22(27-3)15-9-19;1-24-20-12-8-18(9-13-20)22(16-23,17-6-4-3-5-7-17)19-10-14-21(25-2)15-11-19/h1-45,64-66H,46-51H2;4-18H,1-3H3;4-15H,1-3H3;3-15H,1-2H3.
What are the key properties of 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine?
2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine has a molecular weight of 1962.50 g/mol, XLogP of 25.91, 39 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methoxyphenyl)-2-phenylacetonitrile;2,2,2-tris(4-methoxyphenyl)acetonitrile;1-[tris(4-methoxyphenyl)methyl]pyrazole;N-trityl-N',N'-bis[2-(tritylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 158461232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).