3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

C118H106F2N4O2Si2 — CID 160811815

IUPAC3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
SMILESC[Si]1(C)c2ccc(N(c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2-c2oc3cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc3c21.Cc1cc(C)c(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)-c2oc4cc(N(c5ccc(C(C)(C)C)cc5)c5c(C)cc(C)cc5C)ccc4c2[Si]3(C)C)c(C)c1
InChIInChI=1S/C64H46F2N2OSi.C54H60N2OSi/c1-70(2)60-36-34-51(67(49-29-17-7-18-30-49)61-54(45-25-13-5-14-26-45)37-47(39-57(61)65)43-21-9-3-10-22-43)41-56(60)63-64(70)53-35-33-52(42-59(53)69-63)68(50-31-19-8-20-32-50)62-55(46-27-15-6-16-28-46)38-48(40-58(62)66)44-23-11-4-12-24-44;1-33-27-35(3)49(36(4)28-33)55(41-19-15-39(16-20-41)53(7,8)9)43-24-26-48-46(31-43)51-52(58(48,13)14)45-25-23-44(32-47(45)57-51)56(50-37(5)29-34(2)30-38(50)6)42-21-17-40(18-22-42)54(10,11)12/h3-42H,1-2H3;15-32H,1-14H3
InChIKeySEJVRRYOHZVQGQ-UHFFFAOYSA-N
MW1706.34 g/mol
LogP31.74
Rot. Bonds16

About 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (PubChem CID 160811815) has the molecular formula C118H106F2N4O2Si2 and a molecular weight of 1706.34 g/mol. Its IUPAC name is 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
PubChem CID160811815
Molecular FormulaC118H106F2N4O2Si2
Molecular Weight1706.34 g/mol
Exact Mass1704.78
IUPAC Name3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
SMILESC[Si]1(C)c2ccc(N(c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2-c2oc3cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc3c21.Cc1cc(C)c(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)-c2oc4cc(N(c5ccc(C(C)(C)C)cc5)c5c(C)cc(C)cc5C)ccc4c2[Si]3(C)C)c(C)c1
InChIInChI=1S/C64H46F2N2OSi.C54H60N2OSi/c1-70(2)60-36-34-51(67(49-29-17-7-18-30-49)61-54(45-25-13-5-14-26-45)37-47(39-57(61)65)43-21-9-3-10-22-43)41-56(60)63-64(70)53-35-33-52(42-59(53)69-63)68(50-31-19-8-20-32-50)62-55(46-27-15-6-16-28-46)38-48(40-58(62)66)44-23-11-4-12-24-44;1-33-27-35(3)49(36(4)28-33)55(41-19-15-39(16-20-41)53(7,8)9)43-24-26-48-46(31-43)51-52(58(48,13)14)45-25-23-44(32-47(45)57-51)56(50-37(5)29-34(2)30-38(50)6)42-21-17-40(18-22-42)54(10,11)12/h3-42H,1-2H3;15-32H,1-14H3
InChIKeySEJVRRYOHZVQGQ-UHFFFAOYSA-N
XLogP31.74
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001706.34
LogP ≤ 531.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845214
3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
CID 157136394
10,10-dimethyl-3-N,7-N-diphenyl-3-N,7-N-bis(3-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;10,10-dimethyl-3-N,7-N-diphenyl-3-N,7-N-bis(4-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 159093716
3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845147
7-N-dibenzofuran-4-yl-10,10-dimethyl-3-N,3-N,7-N-triphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845196
4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 140845180
10,10-dimethyl-3-N,3-N,8-N,8-N-tetraphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;3-N,3-N,8-N,8-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
CID 157459074
3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845212
1-N-(4-tert-butyl-2,6-dimethylphenyl)-4-N-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-1-N-phenyl-4-N-(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 59426672
N-(4-phenylphenyl)-N-(2,4,6-triphenylphenyl)dibenzofuran-3-amine
CID 121287876
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
CID 59357994

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The IUPAC name of 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (CID 160811815) is 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.
What is the SMILES notation for 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The canonical SMILES for 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is C[Si]1(C)c2ccc(N(c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2-c2oc3cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc3c21.Cc1cc(C)c(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)-c2oc4cc(N(c5ccc(C(C)(C)C)cc5)c5c(C)cc(C)cc5C)ccc4c2[Si]3(C)C)c(C)c1.
What is the InChIKey of 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The InChIKey is SEJVRRYOHZVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46F2N2OSi.C54H60N2OSi/c1-70(2)60-36-34-51(67(49-29-17-7-18-30-49)61-54(45-25-13-5-14-26-45)37-47(39-57(61)65)43-21-9-3-10-22-43)41-56(60)63-64(70)53-35-33-52(42-59(53)69-63)68(50-31-19-8-20-32-50)62-55(46-27-15-6-16-28-46)38-48(40-58(62)66)44-23-11-4-12-24-44;1-33-27-35(3)49(36(4)28-33)55(41-19-15-39(16-20-41)53(7,8)9)43-24-26-48-46(31-43)51-52(58(48,13)14)45-25-23-44(32-47(45)57-51)56(50-37(5)29-34(2)30-38(50)6)42-21-17-40(18-22-42)54(10,11)12/h3-42H,1-2H3;15-32H,1-14H3.
What are the key properties of 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine has a molecular weight of 1706.34 g/mol, XLogP of 31.74, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is sourced from PubChem (CID 160811815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).