2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine

C226H236N8 — CID 159808726

About 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine

2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine (PubChem CID 159808726) has the molecular formula C226H236N8 and a molecular weight of 3064.43 g/mol. Its IUPAC name is 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine.

Molecular Properties

• Compound Name: 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine
• PubChem CID: 159808726
• Molecular Formula: C226H236N8
• Molecular Weight: 3064.43 g/mol
• Exact Mass: 3061.87
• IUPAC Name: 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine
• SMILES: CC(C)(C)c1ccc2c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c2c1.CCCCCCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(CCCCCC)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc23)cc1.Cc1cccc(N(c2ccc(C)c(C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C)c3)c3ccc(C)c(C)c3)c3ccc(C(C)(C)C)cc23)c1.Cc1cccc(N(c2cccc(C)c2)c2c3ccc(C(C)C)cc3c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccc(C(C)C)cc23)c1
• InChI: InChI=1S/C64H80N2.C62H52N2.C52H56N2.C48H48N2/c1-13-15-17-19-21-47-23-33-53(34-24-47)65(55-37-27-49(28-38-55)45(3)4)61-57-41-31-52(64(10,11)12)44-60(57)62(58-42-32-51(43-59(58)61)63(7,8)9)66(56-39-29-50(30-40-56)46(5)6)54-35-25-48(26-36-54)22-20-18-16-14-2;1-61(2,3)49-27-33-55-57(39-49)59(63(51-29-23-41-15-7-11-19-45(41)35-51)52-30-24-42-16-8-12-20-46(42)36-52)56-34-28-50(62(4,5)6)40-58(56)60(55)64(53-31-25-43-17-9-13-21-47(43)37-53)54-32-26-44-18-10-14-22-48(44)38-54;1-33-15-13-17-41(27-33)53(43-23-19-35(3)37(5)29-43)49-45-25-21-40(52(10,11)12)32-48(45)50(46-26-22-39(31-47(46)49)51(7,8)9)54(42-18-14-16-34(2)28-42)44-24-20-36(4)38(6)30-44;1-31(2)37-21-23-43-45(29-37)47(49(39-17-9-13-33(5)25-39)40-18-10-14-34(6)26-40)44-24-22-38(32(3)4)30-46(44)48(43)50(41-19-11-15-35(7)27-41)42-20-12-16-36(8)28-42/h23-46H,13-22H2,1-12H3;7-40H,1-6H3;13-32H,1-12H3;9-32H,1-8H3
• InChIKey: NKSYGTILPJJWNX-UHFFFAOYSA-N
• XLogP: 67.95
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 38
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3064.43
LogP ≤ 5	67.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine?

The IUPAC name of 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine (CID 159808726) is 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine.

What is the SMILES notation for 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine?

The canonical SMILES for 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine is CC(C)(C)c1ccc2c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c2c1.CCCCCCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(CCCCCC)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc23)cc1.Cc1cccc(N(c2ccc(C)c(C)c2)c2c3ccc(C(C)(C)C)cc3c(N(c3cccc(C)c3)c3ccc(C)c(C)c3)c3ccc(C(C)(C)C)cc23)c1.Cc1cccc(N(c2cccc(C)c2)c2c3ccc(C(C)C)cc3c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccc(C(C)C)cc23)c1.

What is the InChIKey of 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine?

The InChIKey is NKSYGTILPJJWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N2.C62H52N2.C52H56N2.C48H48N2/c1-13-15-17-19-21-47-23-33-53(34-24-47)65(55-37-27-49(28-38-55)45(3)4)61-57-41-31-52(64(10,11)12)44-60(57)62(58-42-32-51(43-59(58)61)63(7,8)9)66(56-39-29-50(30-40-56)46(5)6)54-35-25-48(26-36-54)22-20-18-16-14-2;1-61(2,3)49-27-33-55-57(39-49)59(63(51-29-23-41-15-7-11-19-45(41)35-51)52-30-24-42-16-8-12-20-46(42)36-52)56-34-28-50(62(4,5)6)40-58(56)60(55)64(53-31-25-43-17-9-13-21-47(43)37-53)54-32-26-44-18-10-14-22-48(44)38-54;1-33-15-13-17-41(27-33)53(43-23-19-35(3)37(5)29-43)49-45-25-21-40(52(10,11)12)32-48(45)50(46-26-22-39(31-47(46)49)51(7,8)9)54(42-18-14-16-34(2)28-42)44-24-20-36(4)38(6)30-44;1-31(2)37-21-23-43-45(29-37)47(49(39-17-9-13-33(5)25-39)40-18-10-14-34(6)26-40)44-24-22-38(32(3)4)30-46(44)48(43)50(41-19-11-15-35(7)27-41)42-20-12-16-36(8)28-42/h23-46H,13-22H2,1-12H3;7-40H,1-6H3;13-32H,1-12H3;9-32H,1-8H3.

What are the key properties of 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine?

2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine has a molecular weight of 3064.43 g/mol, XLogP of 67.95, 38 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine is sourced from PubChem (CID 159808726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).