2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine

C258H244N8Si6 — CID 158840972

IUPAC2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1cc(C)cc(-c2c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)c1
InChIInChI=1S/C68H76N2Si2.C66H52N2.C62H68N2Si4.C62H48N2/c1-45-37-46(2)40-49(39-45)65-61-35-29-58(70(54-23-19-52(20-24-54)68(8,9)10)56-27-33-60(34-28-56)72(14,15)16)44-64(61)66(50-41-47(3)38-48(4)42-50)62-36-30-57(43-63(62)65)69(53-21-17-51(18-22-53)67(5,6)7)55-25-31-59(32-26-55)71(11,12)13;1-45-37-46(2)40-53(39-45)65-61-35-33-60(68(56-23-15-8-16-24-56)58-31-27-52(28-32-58)50-19-11-6-12-20-50)44-64(61)66(54-41-47(3)38-48(4)42-54)62-36-34-59(43-63(62)65)67(55-21-13-7-14-22-55)57-29-25-51(26-30-57)49-17-9-5-10-18-49;1-65(2,3)53-33-23-47(24-34-53)63(48-25-35-54(36-26-48)66(4,5)6)51-31-41-57-59(43-51)61(45-19-15-13-16-20-45)58-42-32-52(44-60(58)62(57)46-21-17-14-18-22-46)64(49-27-37-55(38-28-49)67(7,8)9)50-29-39-56(40-30-50)68(10,11)12;1-41-33-42(2)36-47(35-41)61-55-31-29-52(64(50-23-9-6-10-24-50)60-28-16-20-46-18-12-14-26-54(46)60)40-58(55)62(48-37-43(3)34-44(4)38-48)56-32-30-51(39-57(56)61)63(49-21-7-5-8-22-49)59-27-15-19-45-17-11-13-25-53(45)59/h17-44H,1-16H3;5-44H,1-4H3;13-44H,1-12H3;5-40H,1-4H3
InChIKeyIYFWLFNITZDGTO-UHFFFAOYSA-N
MW3625.36 g/mol
LogP72.27
Rot. Bonds40

About 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine

2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine (PubChem CID 158840972) has the molecular formula C258H244N8Si6 and a molecular weight of 3625.36 g/mol. Its IUPAC name is 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine
PubChem CID158840972
Molecular FormulaC258H244N8Si6
Molecular Weight3625.36 g/mol
Exact Mass3621.80
IUPAC Name2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1cc(C)cc(-c2c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)c1
InChIInChI=1S/C68H76N2Si2.C66H52N2.C62H68N2Si4.C62H48N2/c1-45-37-46(2)40-49(39-45)65-61-35-29-58(70(54-23-19-52(20-24-54)68(8,9)10)56-27-33-60(34-28-56)72(14,15)16)44-64(61)66(50-41-47(3)38-48(4)42-50)62-36-30-57(43-63(62)65)69(53-21-17-51(18-22-53)67(5,6)7)55-25-31-59(32-26-55)71(11,12)13;1-45-37-46(2)40-53(39-45)65-61-35-33-60(68(56-23-15-8-16-24-56)58-31-27-52(28-32-58)50-19-11-6-12-20-50)44-64(61)66(54-41-47(3)38-48(4)42-54)62-36-34-59(43-63(62)65)67(55-21-13-7-14-22-55)57-29-25-51(26-30-57)49-17-9-5-10-18-49;1-65(2,3)53-33-23-47(24-34-53)63(48-25-35-54(36-26-48)66(4,5)6)51-31-41-57-59(43-51)61(45-19-15-13-16-20-45)58-42-32-52(44-60(58)62(57)46-21-17-14-18-22-46)64(49-27-37-55(38-28-49)67(7,8)9)50-29-39-56(40-30-50)68(10,11)12;1-41-33-42(2)36-47(35-41)61-55-31-29-52(64(50-23-9-6-10-24-50)60-28-16-20-46-18-12-14-26-54(46)60)40-58(55)62(48-37-43(3)34-44(4)38-48)56-32-30-51(39-57(56)61)63(49-21-7-5-8-22-49)59-27-15-19-45-17-11-13-25-53(45)59/h17-44H,1-16H3;5-44H,1-4H3;13-44H,1-12H3;5-40H,1-4H3
InChIKeyIYFWLFNITZDGTO-UHFFFAOYSA-N
XLogP72.27
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms272
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003625.36
LogP ≤ 572.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine (CID 158840972) is 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine is C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1cc(C)cc(-c2c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc23)c1.Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)c1.
What is the InChIKey of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine?
The InChIKey is IYFWLFNITZDGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H76N2Si2.C66H52N2.C62H68N2Si4.C62H48N2/c1-45-37-46(2)40-49(39-45)65-61-35-29-58(70(54-23-19-52(20-24-54)68(8,9)10)56-27-33-60(34-28-56)72(14,15)16)44-64(61)66(50-41-47(3)38-48(4)42-50)62-36-30-57(43-63(62)65)69(53-21-17-51(18-22-53)67(5,6)7)55-25-31-59(32-26-55)71(11,12)13;1-45-37-46(2)40-53(39-45)65-61-35-33-60(68(56-23-15-8-16-24-56)58-31-27-52(28-32-58)50-19-11-6-12-20-50)44-64(61)66(54-41-47(3)38-48(4)42-54)62-36-34-59(43-63(62)65)67(55-21-13-7-14-22-55)57-29-25-51(26-30-57)49-17-9-5-10-18-49;1-65(2,3)53-33-23-47(24-34-53)63(48-25-35-54(36-26-48)66(4,5)6)51-31-41-57-59(43-51)61(45-19-15-13-16-20-45)58-42-32-52(44-60(58)62(57)46-21-17-14-18-22-46)64(49-27-37-55(38-28-49)67(7,8)9)50-29-39-56(40-30-50)68(10,11)12;1-41-33-42(2)36-47(35-41)61-55-31-29-52(64(50-23-9-6-10-24-50)60-28-16-20-46-18-12-14-26-54(46)60)40-58(55)62(48-37-43(3)34-44(4)38-48)56-32-30-51(39-57(56)61)63(49-21-7-5-8-22-49)59-27-15-19-45-17-11-13-25-53(45)59/h17-44H,1-16H3;5-44H,1-4H3;13-44H,1-12H3;5-40H,1-4H3.
What are the key properties of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine?
2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine has a molecular weight of 3625.36 g/mol, XLogP of 72.27, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 158840972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).