9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine

C266H292N8 — CID 158449345

IUPAC9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
SMILESCC(C)(C)c1cccc(N(c2cccc(C(C)(C)C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C(C)(C)C)c3)c3cccc(C(C)(C)C)c3)c3ccc(-c4ccccc4)cc23)c1.CCC(C)c1cccc(N(c2cccc(C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C)c3)c3cccc(C(C)CC)c3)c3ccc(C(C)(C)C)cc23)c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(-c3c4cc(C(C)(C)C)ccc4c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1.Cc1ccc(N(c2ccccc2)c2c3ccc(C(C)(C)C)cc3c(-c3c4cc(C(C)(C)C)ccc4c(N(c4ccccc4)c4ccc(C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C76H84N2.C70H72N2.C64H72N2.C56H64N2/c1-47(2)51-23-35-59(36-24-51)77(57-31-19-49(5)20-32-57)71-63-41-29-53(73(7,8)9)43-65(63)69(61-39-27-55(45-67(61)71)75(13,14)15)70-62-40-28-56(76(16,17)18)46-68(62)72(64-42-30-54(44-66(64)70)74(10,11)12)78(58-33-21-50(6)22-34-58)60-37-25-52(26-38-60)48(3)4;1-45-25-33-53(34-26-45)71(51-21-17-15-18-22-51)65-57-39-31-47(67(3,4)5)41-59(57)63(55-37-29-49(43-61(55)65)69(9,10)11)64-56-38-30-50(70(12,13)14)44-62(56)66(58-40-32-48(42-60(58)64)68(6,7)8)72(52-23-19-16-20-24-52)54-35-27-46(2)28-36-54;1-60(2,3)45-25-19-29-50(38-45)65(51-30-20-26-46(39-51)61(4,5)6)58-55-36-34-49(64(13,14)15)42-57(55)59(54-35-33-44(37-56(54)58)43-23-17-16-18-24-43)66(52-31-21-27-47(40-52)62(7,8)9)53-32-22-28-48(41-53)63(10,11)12;1-13-39(5)41-21-17-25-47(33-41)57(45-23-15-19-37(3)31-45)53-49-29-27-44(56(10,11)12)36-52(49)54(50-30-28-43(35-51(50)53)55(7,8)9)58(46-24-16-20-38(4)32-46)48-26-18-22-42(34-48)40(6)14-2/h19-48H,1-18H3;15-44H,1-14H3;16-42H,1-15H3;15-36,39-40H,13-14H2,1-12H3
InChIKeyHDUCOGAJXXCFLV-UHFFFAOYSA-N
MW3601.32 g/mol
LogP79.93
Rot. Bonds33

About 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine

9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine (PubChem CID 158449345) has the molecular formula C266H292N8 and a molecular weight of 3601.32 g/mol. Its IUPAC name is 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine.

Molecular Properties

Compound Name9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
PubChem CID158449345
Molecular FormulaC266H292N8
Molecular Weight3601.32 g/mol
Exact Mass3598.31
IUPAC Name9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
SMILESCC(C)(C)c1cccc(N(c2cccc(C(C)(C)C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C(C)(C)C)c3)c3cccc(C(C)(C)C)c3)c3ccc(-c4ccccc4)cc23)c1.CCC(C)c1cccc(N(c2cccc(C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C)c3)c3cccc(C(C)CC)c3)c3ccc(C(C)(C)C)cc23)c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(-c3c4cc(C(C)(C)C)ccc4c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1.Cc1ccc(N(c2ccccc2)c2c3ccc(C(C)(C)C)cc3c(-c3c4cc(C(C)(C)C)ccc4c(N(c4ccccc4)c4ccc(C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C76H84N2.C70H72N2.C64H72N2.C56H64N2/c1-47(2)51-23-35-59(36-24-51)77(57-31-19-49(5)20-32-57)71-63-41-29-53(73(7,8)9)43-65(63)69(61-39-27-55(45-67(61)71)75(13,14)15)70-62-40-28-56(76(16,17)18)46-68(62)72(64-42-30-54(44-66(64)70)74(10,11)12)78(58-33-21-50(6)22-34-58)60-37-25-52(26-38-60)48(3)4;1-45-25-33-53(34-26-45)71(51-21-17-15-18-22-51)65-57-39-31-47(67(3,4)5)41-59(57)63(55-37-29-49(43-61(55)65)69(9,10)11)64-56-38-30-50(70(12,13)14)44-62(56)66(58-40-32-48(42-60(58)64)68(6,7)8)72(52-23-19-16-20-24-52)54-35-27-46(2)28-36-54;1-60(2,3)45-25-19-29-50(38-45)65(51-30-20-26-46(39-51)61(4,5)6)58-55-36-34-49(64(13,14)15)42-57(55)59(54-35-33-44(37-56(54)58)43-23-17-16-18-24-43)66(52-31-21-27-47(40-52)62(7,8)9)53-32-22-28-48(41-53)63(10,11)12;1-13-39(5)41-21-17-25-47(33-41)57(45-23-15-19-37(3)31-45)53-49-29-27-44(56(10,11)12)36-52(49)54(50-30-28-43(35-51(50)53)55(7,8)9)58(46-24-16-20-38(4)32-46)48-26-18-22-42(34-48)40(6)14-2/h19-48H,1-18H3;15-44H,1-14H3;16-42H,1-15H3;15-36,39-40H,13-14H2,1-12H3
InChIKeyHDUCOGAJXXCFLV-UHFFFAOYSA-N
XLogP79.93
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms274
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003601.32
LogP ≤ 579.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine?
The IUPAC name of 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine (CID 158449345) is 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine.
What is the SMILES notation for 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine?
The canonical SMILES for 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine is CC(C)(C)c1cccc(N(c2cccc(C(C)(C)C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C(C)(C)C)c3)c3cccc(C(C)(C)C)c3)c3ccc(-c4ccccc4)cc23)c1.CCC(C)c1cccc(N(c2cccc(C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C)c3)c3cccc(C(C)CC)c3)c3ccc(C(C)(C)C)cc23)c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(-c3c4cc(C(C)(C)C)ccc4c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1.Cc1ccc(N(c2ccccc2)c2c3ccc(C(C)(C)C)cc3c(-c3c4cc(C(C)(C)C)ccc4c(N(c4ccccc4)c4ccc(C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine?
The InChIKey is HDUCOGAJXXCFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H84N2.C70H72N2.C64H72N2.C56H64N2/c1-47(2)51-23-35-59(36-24-51)77(57-31-19-49(5)20-32-57)71-63-41-29-53(73(7,8)9)43-65(63)69(61-39-27-55(45-67(61)71)75(13,14)15)70-62-40-28-56(76(16,17)18)46-68(62)72(64-42-30-54(44-66(64)70)74(10,11)12)78(58-33-21-50(6)22-34-58)60-37-25-52(26-38-60)48(3)4;1-45-25-33-53(34-26-45)71(51-21-17-15-18-22-51)65-57-39-31-47(67(3,4)5)41-59(57)63(55-37-29-49(43-61(55)65)69(9,10)11)64-56-38-30-50(70(12,13)14)44-62(56)66(58-40-32-48(42-60(58)64)68(6,7)8)72(52-23-19-16-20-24-52)54-35-27-46(2)28-36-54;1-60(2,3)45-25-19-29-50(38-45)65(51-30-20-26-46(39-51)61(4,5)6)58-55-36-34-49(64(13,14)15)42-57(55)59(54-35-33-44(37-56(54)58)43-23-17-16-18-24-43)66(52-31-21-27-47(40-52)62(7,8)9)53-32-22-28-48(41-53)63(10,11)12;1-13-39(5)41-21-17-25-47(33-41)57(45-23-15-19-37(3)31-45)53-49-29-27-44(56(10,11)12)36-52(49)54(50-30-28-43(35-51(50)53)55(7,8)9)58(46-24-16-20-38(4)32-46)48-26-18-22-42(34-48)40(6)14-2/h19-48H,1-18H3;15-44H,1-14H3;16-42H,1-15H3;15-36,39-40H,13-14H2,1-12H3.
What are the key properties of 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine?
9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine has a molecular weight of 3601.32 g/mol, XLogP of 79.93, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine is sourced from PubChem (CID 158449345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).