5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

C59H58N2Si2 — CID 140725674

IUPAC5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESCCc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc(CC)cc3)c3ccccc23)C4([Si](C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C59H58N2Si2/c1-9-41-29-33-45(34-30-41)60(43-21-13-11-14-22-43)47-37-38-52-53(39-47)48-25-17-19-27-50(48)57-56-51-28-20-18-26-49(51)55(40-54(56)59(58(52)57,62(3,4)5)63(6,7)8)61(44-23-15-12-16-24-44)46-35-31-42(10-2)32-36-46/h11-40H,9-10H2,1-8H3
InChIKeyAPTJEFJOOWJJMY-UHFFFAOYSA-N
MW851.30 g/mol
LogP17.23
Rot. Bonds10

About 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (PubChem CID 140725674) has the molecular formula C59H58N2Si2 and a molecular weight of 851.30 g/mol. Its IUPAC name is 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.

Molecular Properties

Compound Name5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
PubChem CID140725674
Molecular FormulaC59H58N2Si2
Molecular Weight851.30 g/mol
Exact Mass850.41
IUPAC Name5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESCCc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc(CC)cc3)c3ccccc23)C4([Si](C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C59H58N2Si2/c1-9-41-29-33-45(34-30-41)60(43-21-13-11-14-22-43)47-37-38-52-53(39-47)48-25-17-19-27-50(48)57-56-51-28-20-18-26-49(51)55(40-54(56)59(58(52)57,62(3,4)5)63(6,7)8)61(44-23-15-12-16-24-44)46-35-31-42(10-2)32-36-46/h11-40H,9-10H2,1-8H3
InChIKeyAPTJEFJOOWJJMY-UHFFFAOYSA-N
XLogP17.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.30
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine with MolForge

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Related Compounds

5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738193
9-N,15-N-bis(3,4-dimethylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738150
5-N,18-N-bis(2-methylphenyl)-5-N,18-N-diphenyl-21,21-bis(trimethylsilyl)pentacyclo[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 140738133
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738096
9-N',15-N'-bis(4-ethylphenyl)-9-N',15-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 140962756
5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 140738043
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738274
5-N,22-N-bis(4-cyclohexylphenyl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430654
25,25-ditert-butyl-5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430777
12-N-(4-tert-butylphenyl)-6-N-(4-ethylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine
CID 90869700
5-N',5-N',17-N',17-N'-tetraphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
CID 137493642
9-N,17-N-bis(4-methylphenyl)-9-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 140738093

Frequently Asked Questions

What is the IUPAC name of 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The IUPAC name of 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (CID 140725674) is 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.
What is the SMILES notation for 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The canonical SMILES for 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is CCc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc(CC)cc3)c3ccccc23)C4([Si](C)(C)C)[Si](C)(C)C)cc1.
What is the InChIKey of 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The InChIKey is APTJEFJOOWJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H58N2Si2/c1-9-41-29-33-45(34-30-41)60(43-21-13-11-14-22-43)47-37-38-52-53(39-47)48-25-17-19-27-50(48)57-56-51-28-20-18-26-49(51)55(40-54(56)59(58(52)57,62(3,4)5)63(6,7)8)61(44-23-15-12-16-24-44)46-35-31-42(10-2)32-36-46/h11-40H,9-10H2,1-8H3.
What are the key properties of 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine has a molecular weight of 851.30 g/mol, XLogP of 17.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,22-N-bis(4-ethylphenyl)-5-N,22-N-diphenyl-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is sourced from PubChem (CID 140725674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).