5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

C53H42N2OSi — CID 140708975

IUPAC5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c4ccc(N(c5ccccc5)c5ccccc5-c5ccccc5)cc4c4ccccc4c32)cc1
InChIInChI=1S/C53H42N2OSi/c1-57(2,3)43-31-27-40(28-32-43)54(38-19-9-5-10-20-38)42-30-34-48-51(36-42)56-53-47-33-29-41(35-49(47)45-24-13-14-25-46(45)52(48)53)55(39-21-11-6-12-22-39)50-26-16-15-23-44(50)37-17-7-4-8-18-37/h4-36H,1-3H3
InChIKeyYWZIIGZYDJWFAV-UHFFFAOYSA-N
MW751.02 g/mol
LogP15.04
Rot. Bonds8

About 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (PubChem CID 140708975) has the molecular formula C53H42N2OSi and a molecular weight of 751.02 g/mol. Its IUPAC name is 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

Molecular Properties

Compound Name5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
PubChem CID140708975
Molecular FormulaC53H42N2OSi
Molecular Weight751.02 g/mol
Exact Mass750.31
IUPAC Name5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c4ccc(N(c5ccccc5)c5ccccc5-c5ccccc5)cc4c4ccccc4c32)cc1
InChIInChI=1S/C53H42N2OSi/c1-57(2,3)43-31-27-40(28-32-43)54(38-19-9-5-10-20-38)42-30-34-48-51(36-42)56-53-47-33-29-41(35-49(47)45-24-13-14-25-46(45)52(48)53)55(39-21-11-6-12-22-39)50-26-16-15-23-44(50)37-17-7-4-8-18-37/h4-36H,1-3H3
InChIKeyYWZIIGZYDJWFAV-UHFFFAOYSA-N
XLogP15.04
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.02
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine with MolForge

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Related Compounds

18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-5-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260290
5-N-dibenzothiophen-2-yl-18-N-(4-methylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121275539
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260528
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 140708944
5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 140709014
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465131
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464712
5-N,18-N-bis(4-methylphenyl)-5-N,18-N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260427
6-[18-(N-dibenzofuran-4-yl-2-phenylanilino)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-yl]-N,N-diphenylpyridin-3-amine
CID 121260344
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 160905734
N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433676
N-naphthalen-1-yl-N-phenyl-18-[4-(N-phenylanilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-amine
CID 121260370

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?
The IUPAC name of 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (CID 140708975) is 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.
What is the SMILES notation for 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?
The canonical SMILES for 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c4ccc(N(c5ccccc5)c5ccccc5-c5ccccc5)cc4c4ccccc4c32)cc1.
What is the InChIKey of 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?
The InChIKey is YWZIIGZYDJWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2OSi/c1-57(2,3)43-31-27-40(28-32-43)54(38-19-9-5-10-20-38)42-30-34-48-51(36-42)56-53-47-33-29-41(35-49(47)45-24-13-14-25-46(45)52(48)53)55(39-21-11-6-12-22-39)50-26-16-15-23-44(50)37-17-7-4-8-18-37/h4-36H,1-3H3.
What are the key properties of 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?
5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine has a molecular weight of 751.02 g/mol, XLogP of 15.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is sourced from PubChem (CID 140708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).