20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

C60H44N2Si — CID 140757329

IUPAC20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4ccccc4c(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc3c3cccc1c23
InChIInChI=1S/C60H44N2Si/c1-63(2)58-29-17-28-53-56-39-54(43-31-30-42-37-48(33-32-41(42)36-43)61(44-18-7-3-8-19-44)45-20-9-4-10-21-45)50-26-15-16-27-51(50)55(56)40-57(60(53)58)52-35-34-49(38-59(52)63)62(46-22-11-5-12-23-46)47-24-13-6-14-25-47/h3-40H,1-2H3
InChIKeyUCMXUUFMPHLKMG-UHFFFAOYSA-N
MW821.11 g/mol
LogP15.71
Rot. Bonds7

About 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 140757329) has the molecular formula C60H44N2Si and a molecular weight of 821.11 g/mol. Its IUPAC name is 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

Compound Name20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
PubChem CID140757329
Molecular FormulaC60H44N2Si
Molecular Weight821.11 g/mol
Exact Mass820.33
IUPAC Name20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESC[Si]1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4ccccc4c(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc3c3cccc1c23
InChIInChI=1S/C60H44N2Si/c1-63(2)58-29-17-28-53-56-39-54(43-31-30-42-37-48(33-32-41(42)36-43)61(44-18-7-3-8-19-44)45-20-9-4-10-21-45)50-26-15-16-27-51(50)55(56)40-57(60(53)58)52-35-34-49(38-59(52)63)62(46-22-11-5-12-23-46)47-24-13-6-14-25-47/h3-40H,1-2H3
InChIKeyUCMXUUFMPHLKMG-UHFFFAOYSA-N
XLogP15.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.11
LogP ≤ 515.71
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 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine with MolForge

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Related Compounds

20,20-dimethyl-N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757012
20,20-dimethyl-17-N,17-N-diphenyl-4-N,4-N-bis(4-phenylphenyl)-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 140757078
20,20-dimethyl-4-N,4-N-diphenyl-17-N,17-N-bis(4-phenylphenyl)-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 140757160
20,20-dimethyl-N-phenyl-N-(2-phenylphenyl)-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757241
N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140756967
N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 140757152
20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
CID 140757004
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
CID 162504511
5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 140756978
N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 118149021
8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757027

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The IUPAC name of 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (CID 140757329) is 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.
What is the SMILES notation for 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The canonical SMILES for 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is C[Si]1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4ccccc4c(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc3c3cccc1c23.
What is the InChIKey of 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The InChIKey is UCMXUUFMPHLKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2Si/c1-63(2)58-29-17-28-53-56-39-54(43-31-30-42-37-48(33-32-41(42)36-43)61(44-18-7-3-8-19-44)45-20-9-4-10-21-45)50-26-15-16-27-51(50)55(56)40-57(60(53)58)52-35-34-49(38-59(52)63)62(46-22-11-5-12-23-46)47-24-13-6-14-25-47/h3-40H,1-2H3.
What are the key properties of 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 821.11 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 140757329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).