9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C58H46N2Si2 — CID 59181985

IUPAC9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1ccc1c3c(ccc21)[Si](C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3
InChIInChI=1S/C58H46N2Si2/c1-61(2)53-35-33-48-47(57(53)49-31-29-43(37-55(49)61)59(41-21-7-5-8-22-41)51-27-15-19-39-17-11-13-25-45(39)51)34-36-54-58(48)50-32-30-44(38-56(50)62(54,3)4)60(42-23-9-6-10-24-42)52-28-16-20-40-18-12-14-26-46(40)52/h5-38H,1-4H3
InChIKeyPDCLZJYKFMCMDL-UHFFFAOYSA-N
MW827.19 g/mol
LogP13.69
Rot. Bonds6

About 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 59181985) has the molecular formula C58H46N2Si2 and a molecular weight of 827.19 g/mol. Its IUPAC name is 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
PubChem CID59181985
Molecular FormulaC58H46N2Si2
Molecular Weight827.19 g/mol
Exact Mass826.32
IUPAC Name9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1ccc1c3c(ccc21)[Si](C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3
InChIInChI=1S/C58H46N2Si2/c1-61(2)53-35-33-48-47(57(53)49-31-29-43(37-55(49)61)59(41-21-7-5-8-22-41)51-27-15-19-39-17-11-13-25-45(39)51)34-36-54-58(48)50-32-30-44(38-56(50)62(54,3)4)60(42-23-9-6-10-24-42)52-28-16-20-40-18-12-14-26-46(40)52/h5-38H,1-4H3
InChIKeyPDCLZJYKFMCMDL-UHFFFAOYSA-N
XLogP13.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.19
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine with MolForge

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Related Compounds

9,9,21,21-tetramethyl-6-N,6-N,18-N,18-N-tetraphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 59182181
3,3-dimethyl-N-naphthalen-1-yl-N-phenyl-3-silahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),4(9),5,7,11,13,15,17,19,21-undecaen-6-amine
CID 123629779
N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline
CID 59182712
14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937671
14,14-dimethyl-N-naphtho[1,2-b][1]benzothiol-1-yl-N-phenyl-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937630
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 168768982
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-8-phenyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504528
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 159581585
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504651
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706

Frequently Asked Questions

What is the IUPAC name of 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The IUPAC name of 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 59181985) is 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.
What is the SMILES notation for 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The canonical SMILES for 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is C[Si]1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1ccc1c3c(ccc21)[Si](C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3.
What is the InChIKey of 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The InChIKey is PDCLZJYKFMCMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2Si2/c1-61(2)53-35-33-48-47(57(53)49-31-29-43(37-55(49)61)59(41-21-7-5-8-22-41)51-27-15-19-39-17-11-13-25-45(39)51)34-36-54-58(48)50-32-30-44(38-56(50)62(54,3)4)60(42-23-9-6-10-24-42)52-28-16-20-40-18-12-14-26-46(40)52/h5-38H,1-4H3.
What are the key properties of 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 827.19 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 59181985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).