4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

C50H46N2OSi2 — CID 90263126

IUPAC4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)c5ccccc5c4oc3c3ccccc23)cc1
InChIInChI=1S/C50H46N2OSi2/c1-54(2,3)39-29-25-37(26-30-39)51(35-17-9-7-10-18-35)47-33-45-46-34-48(52(36-19-11-8-12-20-36)38-27-31-40(32-28-38)55(4,5)6)42-22-14-16-24-44(42)50(46)53-49(45)43-23-15-13-21-41(43)47/h7-34H,1-6H3
InChIKeyHNPDFVMRUDPSHC-UHFFFAOYSA-N
MW747.10 g/mol
LogP13.92
Rot. Bonds8

About 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (PubChem CID 90263126) has the molecular formula C50H46N2OSi2 and a molecular weight of 747.10 g/mol. Its IUPAC name is 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.

Molecular Properties

Compound Name4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
PubChem CID90263126
Molecular FormulaC50H46N2OSi2
Molecular Weight747.10 g/mol
Exact Mass746.31
IUPAC Name4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)c5ccccc5c4oc3c3ccccc23)cc1
InChIInChI=1S/C50H46N2OSi2/c1-54(2,3)39-29-25-37(26-30-39)51(35-17-9-7-10-18-35)47-33-45-46-34-48(52(36-19-11-8-12-20-36)38-27-31-40(32-28-38)55(4,5)6)42-22-14-16-24-44(42)50(46)53-49(45)43-23-15-13-21-41(43)47/h7-34H,1-6H3
InChIKeyHNPDFVMRUDPSHC-UHFFFAOYSA-N
XLogP13.92
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.10
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine with MolForge

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Related Compounds

4-N,20-N-bis(3-methylphenyl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263097
4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263128
8,10-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752030
6-N-(4-methylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098964
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670
6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098960
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997
4-(N-[20-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)benzonitrile
CID 123546183
6-N,12-N-bis(3,5-diethylphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098957
N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423471
N-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 90262621

Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The IUPAC name of 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (CID 90263126) is 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.
What is the SMILES notation for 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The canonical SMILES for 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)c5ccccc5c4oc3c3ccccc23)cc1.
What is the InChIKey of 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The InChIKey is HNPDFVMRUDPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N2OSi2/c1-54(2,3)39-29-25-37(26-30-39)51(35-17-9-7-10-18-35)47-33-45-46-34-48(52(36-19-11-8-12-20-36)38-27-31-40(32-28-38)55(4,5)6)42-22-14-16-24-44(42)50(46)53-49(45)43-23-15-13-21-41(43)47/h7-34H,1-6H3.
What are the key properties of 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine has a molecular weight of 747.10 g/mol, XLogP of 13.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is sourced from PubChem (CID 90263126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).