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

C53H52N2Si2 — CID 140738093

IUPAC9-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
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccc(C)cc3)c3ccccc3c2-4)cc1
InChIInChI=1S/C53H52N2Si2/c1-37-23-28-43(29-24-37)54(41-17-11-9-12-18-41)45-32-27-39-34-48-49(35-40(39)33-45)53(56(3,4)5,57(6,7)8)50-36-51(46-21-15-16-22-47(46)52(48)50)55(42-19-13-10-14-20-42)44-30-25-38(2)26-31-44/h9-36H,1-8H3
InChIKeyNYEGKIAIDRHJIH-UHFFFAOYSA-N
MW773.19 g/mol
LogP15.57
Rot. Bonds8

About 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

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 (PubChem CID 140738093) has the molecular formula C53H52N2Si2 and a molecular weight of 773.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID140738093
Molecular FormulaC53H52N2Si2
Molecular Weight773.19 g/mol
Exact Mass772.37
IUPAC Name9-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
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccc(C)cc3)c3ccccc3c2-4)cc1
InChIInChI=1S/C53H52N2Si2/c1-37-23-28-43(29-24-37)54(41-17-11-9-12-18-41)45-32-27-39-34-48-49(35-40(39)33-45)53(56(3,4)5,57(6,7)8)50-36-51(46-21-15-16-22-47(46)52(48)50)55(42-19-13-10-14-20-42)44-30-25-38(2)26-31-44/h9-36H,1-8H3
InChIKeyNYEGKIAIDRHJIH-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'}

Analyze 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 with MolForge

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Related Compounds

9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-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 140738019
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738274
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
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
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-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 137492787
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
9-N,15-N-bis(2,4-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 140738201
25,25-dimethyl-N,N-bis(4-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-20-amine
CID 121431529
5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-trimethylsilylphenyl)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 160528307
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769
9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-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 137492881

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccc(C)cc3)c3ccccc3c2-4)cc1.
What is the InChIKey of 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?
The InChIKey is NYEGKIAIDRHJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52N2Si2/c1-37-23-28-43(29-24-37)54(41-17-11-9-12-18-41)45-32-27-39-34-48-49(35-40(39)33-45)53(56(3,4)5,57(6,7)8)50-36-51(46-21-15-16-22-47(46)52(48)50)55(42-19-13-10-14-20-42)44-30-25-38(2)26-31-44/h9-36H,1-8H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 140738093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).