1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine

C124H149ClN4S2Si2 — CID 165022766

IUPAC1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine
SMILESCC(C)(C)c1ccc(-c2cc([Si](C)(C)C)ccc2Nc2csc3cc4c(cc23)C2(C)CCC4(C)CC2)cc1.Cc1cc(Cl)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c1.Cc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc([Si](C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)c2csc3cc4c(cc23)C2(C)CCC4(C)CC2)c1
InChIInChI=1S/C62H74N2SSi.C35H43NSSi.C27H32ClN/c1-41-34-48(63(46-24-20-44(21-25-46)59(5,6)7)47-26-22-45(23-27-47)60(8,9)10)36-49(35-41)64(56-40-65-57-39-54-53(38-52(56)57)61(11)30-32-62(54,12)33-31-61)55-29-28-50(66(13,14)15)37-51(55)42-16-18-43(19-17-42)58(2,3)4;1-33(2,3)24-11-9-23(10-12-24)26-19-25(38(6,7)8)13-14-30(26)36-31-22-37-32-21-29-28(20-27(31)32)34(4)15-17-35(29,5)18-16-34;1-19-16-22(28)18-25(17-19)29(23-12-8-20(9-13-23)26(2,3)4)24-14-10-21(11-15-24)27(5,6)7/h16-29,34-40H,30-33H2,1-15H3;9-14,19-22,36H,15-18H2,1-8H3;8-18H,1-7H3
InChIKeyLKPZDBACJFDKKW-UHFFFAOYSA-N
MW1851.34 g/mol
LogP37.33
Rot. Bonds15

About 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine

1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine (PubChem CID 165022766) has the molecular formula C124H149ClN4S2Si2 and a molecular weight of 1851.34 g/mol. Its IUPAC name is 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine.

Molecular Properties

Compound Name1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine
PubChem CID165022766
Molecular FormulaC124H149ClN4S2Si2
Molecular Weight1851.34 g/mol
Exact Mass1849.05
IUPAC Name1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine
SMILESCC(C)(C)c1ccc(-c2cc([Si](C)(C)C)ccc2Nc2csc3cc4c(cc23)C2(C)CCC4(C)CC2)cc1.Cc1cc(Cl)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c1.Cc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc([Si](C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)c2csc3cc4c(cc23)C2(C)CCC4(C)CC2)c1
InChIInChI=1S/C62H74N2SSi.C35H43NSSi.C27H32ClN/c1-41-34-48(63(46-24-20-44(21-25-46)59(5,6)7)47-26-22-45(23-27-47)60(8,9)10)36-49(35-41)64(56-40-65-57-39-54-53(38-52(56)57)61(11)30-32-62(54,12)33-31-61)55-29-28-50(66(13,14)15)37-51(55)42-16-18-43(19-17-42)58(2,3)4;1-33(2,3)24-11-9-23(10-12-24)26-19-25(38(6,7)8)13-14-30(26)36-31-22-37-32-21-29-28(20-27(31)32)34(4)15-17-35(29,5)18-16-34;1-19-16-22(28)18-25(17-19)29(23-12-8-20(9-13-23)26(2,3)4)24-14-10-21(11-15-24)27(5,6)7/h16-29,34-40H,30-33H2,1-15H3;9-14,19-22,36H,15-18H2,1-8H3;8-18H,1-7H3
InChIKeyLKPZDBACJFDKKW-UHFFFAOYSA-N
XLogP37.33
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001851.34
LogP ≤ 537.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine with MolForge

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Related Compounds

3-N-(5-tert-butyl-1-benzothiophen-3-yl)-1-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-chloro-1-N-(9,9-dimethylxanthen-3-yl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 168806276
3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167384376
N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
CID 167391415
1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine
CID 164708629
1-N,6-N-bis(4-tert-butylphenyl)-3,8-bis(4-methylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383913
3-N-(1-benzofuran-3-yl)-1-N,1-N-bis(4-tert-butylphenyl)-5-methyl-3-N-phenylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-phenyl-1-benzofuran-3-amine
CID 165009426
3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167394680
N-(4-tert-butyl-2-phenylphenyl)-N-[3-[9,9-dimethyl-2-(4-phenylanilino)fluoren-3-yl]-5-phenylphenyl]-1-benzothiophen-3-amine
CID 170250157
3-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-3-N-(3-tert-butylphenyl)-1-N,1-N-bis(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 162423473
1-N-(2-bromo-4-tert-butylphenyl)-3-N-(5-tert-butyl-1-benzothiophen-3-yl)-1-N-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5-methyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 176862815
3-N-(4-tert-butylphenyl)-5-N,5-N-bis(2-methylphenyl)-1-benzothiophene-3,5-diamine
CID 164708667

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine?
The IUPAC name of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine (CID 165022766) is 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine.
What is the SMILES notation for 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine?
The canonical SMILES for 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine is CC(C)(C)c1ccc(-c2cc([Si](C)(C)C)ccc2Nc2csc3cc4c(cc23)C2(C)CCC4(C)CC2)cc1.Cc1cc(Cl)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c1.Cc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc([Si](C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)c2csc3cc4c(cc23)C2(C)CCC4(C)CC2)c1.
What is the InChIKey of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine?
The InChIKey is LKPZDBACJFDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H74N2SSi.C35H43NSSi.C27H32ClN/c1-41-34-48(63(46-24-20-44(21-25-46)59(5,6)7)47-26-22-45(23-27-47)60(8,9)10)36-49(35-41)64(56-40-65-57-39-54-53(38-52(56)57)61(11)30-32-62(54,12)33-31-61)55-29-28-50(66(13,14)15)37-51(55)42-16-18-43(19-17-42)58(2,3)4;1-33(2,3)24-11-9-23(10-12-24)26-19-25(38(6,7)8)13-14-30(26)36-31-22-37-32-21-29-28(20-27(31)32)34(4)15-17-35(29,5)18-16-34;1-19-16-22(28)18-25(17-19)29(23-12-8-20(9-13-23)26(2,3)4)24-14-10-21(11-15-24)27(5,6)7/h16-29,34-40H,30-33H2,1-15H3;9-14,19-22,36H,15-18H2,1-8H3;8-18H,1-7H3.
What are the key properties of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine?
1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine has a molecular weight of 1851.34 g/mol, XLogP of 37.33, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine is sourced from PubChem (CID 165022766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).