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

C53H52N2Si2 — CID 140738133

IUPAC5-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
SMILESCc1ccccc1N(c1ccccc1)c1ccc2c(c1)C([Si](C)(C)C)([Si](C)(C)C)c1c-2c2ccccc2c2cc(N(c3ccccc3)c3ccccc3C)ccc12
InChIInChI=1S/C53H52N2Si2/c1-37-21-15-19-29-49(37)54(39-23-11-9-12-24-39)41-31-33-45-47(35-41)43-27-17-18-28-44(43)51-46-34-32-42(36-48(46)53(52(45)51,56(3,4)5)57(6,7)8)55(40-25-13-10-14-26-40)50-30-20-16-22-38(50)2/h9-36H,1-8H3
InChIKeyDHTISXHGPHNPRM-UHFFFAOYSA-N
MW773.19 g/mol
LogP15.57
Rot. Bonds8

About 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

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 (PubChem CID 140738133) has the molecular formula C53H52N2Si2 and a molecular weight of 773.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID140738133
Molecular FormulaC53H52N2Si2
Molecular Weight773.19 g/mol
Exact Mass772.37
IUPAC Name5-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
SMILESCc1ccccc1N(c1ccccc1)c1ccc2c(c1)C([Si](C)(C)C)([Si](C)(C)C)c1c-2c2ccccc2c2cc(N(c3ccccc3)c3ccccc3C)ccc12
InChIInChI=1S/C53H52N2Si2/c1-37-21-15-19-29-49(37)54(39-23-11-9-12-24-39)41-31-33-45-47(35-41)43-27-17-18-28-44(43)51-46-34-32-42(36-48(46)53(52(45)51,56(3,4)5)57(6,7)8)55(40-25-13-10-14-26-40)50-30-20-16-22-38(50)2/h9-36H,1-8H3
InChIKeyDHTISXHGPHNPRM-UHFFFAOYSA-N
XLogP15.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.19
LogP ≤ 515.57
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,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 with MolForge

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Related Compounds

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
25,25-dimethyl-5-N,17-N-bis(2-methylphenyl)-5-N,17-N-diphenylhexacyclo[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 121431363
21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[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 140738070
7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
CID 140738191
5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)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(23),19,21-dodecaene-5,20-diamine
CID 140725444
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-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene-5,20-diamine
CID 162256586
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
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
5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
CID 158003093
5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 140725512
5-N,18-N-bis(4-methylphenyl)-5-N,18-N,21,21-tetraphenylpentacyclo[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 88594459

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1N(c1ccccc1)c1ccc2c(c1)C([Si](C)(C)C)([Si](C)(C)C)c1c-2c2ccccc2c2cc(N(c3ccccc3)c3ccccc3C)ccc12.
What is the InChIKey of 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?
The InChIKey is DHTISXHGPHNPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52N2Si2/c1-37-21-15-19-29-49(37)54(39-23-11-9-12-24-39)41-31-33-45-47(35-41)43-27-17-18-28-44(43)51-46-34-32-42(36-48(46)53(52(45)51,56(3,4)5)57(6,7)8)55(40-25-13-10-14-26-40)50-30-20-16-22-38(50)2/h9-36H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 773.19 g/mol, XLogP of 15.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140738133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).