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

C62H46N2Si — CID 140757160

IUPAC20,20-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
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3cccc1c23
InChIInChI=1S/C62H46N2Si/c1-65(2)60-29-17-28-55-57-42-59(64(47-22-11-5-12-23-47)48-24-13-6-14-25-48)53-27-16-15-26-52(53)56(57)41-58(62(55)60)54-39-38-51(40-61(54)65)63(49-34-30-45(31-35-49)43-18-7-3-8-19-43)50-36-32-46(33-37-50)44-20-9-4-10-21-44/h3-42H,1-2H3
InChIKeyMWHHCKKNAMJPHO-UHFFFAOYSA-N
MW847.15 g/mol
LogP16.22
Rot. Bonds8

About 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

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 (PubChem CID 140757160) has the molecular formula C62H46N2Si and a molecular weight of 847.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name20,20-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
PubChem CID140757160
Molecular FormulaC62H46N2Si
Molecular Weight847.15 g/mol
Exact Mass846.34
IUPAC Name20,20-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
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3cccc1c23
InChIInChI=1S/C62H46N2Si/c1-65(2)60-29-17-28-55-57-42-59(64(47-22-11-5-12-23-47)48-24-13-6-14-25-48)53-27-16-15-26-52(53)56(57)41-58(62(55)60)54-39-38-51(40-61(54)65)63(49-34-30-45(31-35-49)43-18-7-3-8-19-43)50-36-32-46(33-37-50)44-20-9-4-10-21-44/h3-42H,1-2H3
InChIKeyMWHHCKKNAMJPHO-UHFFFAOYSA-N
XLogP16.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.15
LogP ≤ 516.22
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-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 with MolForge

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Related Compounds

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-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
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-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
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
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
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
4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(2-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 140756973
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-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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-(2-phenylphenyl)dibenzofuran-4-amine
CID 140757189
4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-20,20-dimethyl-4-N-phenyl-17-N-(2-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 140757146
5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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;5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-5-N,16-N-dinaphthalen-1-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;5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-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;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;20,20-dimethyl-N-naphthalen-1-yl-N-phenyl-17-[4-(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;20,20-dimethyl-N-naphthalen-1-yl-N-phenyl-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 159011664

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3cccc1c23.
What is the InChIKey of 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?
The InChIKey is MWHHCKKNAMJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2Si/c1-65(2)60-29-17-28-55-57-42-59(64(47-22-11-5-12-23-47)48-24-13-6-14-25-48)53-27-16-15-26-52(53)56(57)41-58(62(55)60)54-39-38-51(40-61(54)65)63(49-34-30-45(31-35-49)43-18-7-3-8-19-43)50-36-32-46(33-37-50)44-20-9-4-10-21-44/h3-42H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 847.15 g/mol, XLogP of 16.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140757160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).