2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine

C343H344N16 — CID 160724839

About 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine

2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine (PubChem CID 160724839) has the molecular formula C343H344N16 and a molecular weight of 4690.64 g/mol. Its IUPAC name is 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine.

Molecular Properties

• Compound Name: 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine
• PubChem CID: 160724839
• Molecular Formula: C343H344N16
• Molecular Weight: 4690.64 g/mol
• Exact Mass: 4686.74
• IUPAC Name: 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine
• SMILES: CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3c(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.CC(C)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(C(C)(C)c4ccccc4)cc3)c3cc(C45CC6CC(CC(C6)C4)C5)ccc23)cc1.CC(C)c1ccc(N(c2ccc(N(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(N(C)C)cc3)c3cc(C(C)(C)C)ccc23)cc1.CCC(C)c1ccc2c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c2c1.CCC(CC)c1ccc2c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c2c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc(C(C)(C)C)cc3c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4ccc(C(C)(C)C)cc4cc23)cc1
• InChI: InChI=1S/C72H74N2.C66H50N4.C54H60N2.C52H58N4.C52H56N2.C47H46N2/c1-48(2)53-23-32-60(33-24-53)73(62-36-27-57(28-37-62)70(5,6)55-17-11-9-12-18-55)68-64-21-15-16-22-65(64)69(67-44-59(31-40-66(67)68)72-45-50-41-51(46-72)43-52(42-50)47-72)74(61-34-25-54(26-35-61)49(3)4)63-38-29-58(30-39-63)71(7,8)56-19-13-10-14-20-56;1-66(2,3)45-40-41-58-59(42-45)65(68(47-24-8-5-9-25-47)49-27-21-29-51(44-49)70-62-38-18-14-32-54(62)55-33-15-19-39-63(55)70)57-35-11-10-34-56(57)64(58)67(46-22-6-4-7-23-46)48-26-20-28-50(43-48)69-60-36-16-12-30-52(60)53-31-13-17-37-61(53)69;1-35(2)39-17-26-45(27-18-39)55(44-22-13-37(5)14-23-44)51-34-43(54(10,11)12)33-50-49(51)32-41-31-42(53(7,8)9)21-30-48(41)52(50)56(46-24-15-38(6)16-25-46)47-28-19-40(20-29-47)36(3)4;1-35(2)37-16-21-42(22-17-37)55(44-29-25-40(26-30-44)53(8)9)50-46-14-12-13-15-47(46)51(49-34-39(52(5,6)7)20-33-48(49)50)56(43-23-18-38(19-24-43)36(3)4)45-31-27-41(28-32-45)54(10)11;1-11-37(4)38-20-33-47-48(34-38)50(54(42-27-18-36(3)19-28-42)44-31-23-40(24-32-44)52(8,9)10)46-15-13-12-14-45(46)49(47)53(41-25-16-35(2)17-26-41)43-29-21-39(22-30-43)51(5,6)7;1-7-36(8-2)37-21-30-44-45(31-37)47(49(40-26-17-34(5)18-27-40)41-28-19-35(6)20-29-41)43-12-10-9-11-42(43)46(44)48(38-22-13-32(3)14-23-38)39-24-15-33(4)16-25-39/h9-40,44,48-52H,41-43,45-47H2,1-8H3;4-44H,1-3H3;13-36H,1-12H3;12-36H,1-11H3;12-34,37H,11H2,1-10H3;9-31,36H,7-8H2,1-6H3
• InChIKey: RTOLUJACTIPCOC-UHFFFAOYSA-N
• XLogP: 99.45
• TPSA: 55.22 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 56
• Heavy Atoms: 359
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4690.64
LogP ≤ 5	99.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine?

The IUPAC name of 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine (CID 160724839) is 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine.

What is the SMILES notation for 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine?

The canonical SMILES for 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine is CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3c(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.CC(C)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(C(C)(C)c4ccccc4)cc3)c3cc(C45CC6CC(CC(C6)C4)C5)ccc23)cc1.CC(C)c1ccc(N(c2ccc(N(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(N(C)C)cc3)c3cc(C(C)(C)C)ccc23)cc1.CCC(C)c1ccc2c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c2c1.CCC(CC)c1ccc2c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c2c1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc(C(C)(C)C)cc3c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4ccc(C(C)(C)C)cc4cc23)cc1.

What is the InChIKey of 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine?

The InChIKey is RTOLUJACTIPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H74N2.C66H50N4.C54H60N2.C52H58N4.C52H56N2.C47H46N2/c1-48(2)53-23-32-60(33-24-53)73(62-36-27-57(28-37-62)70(5,6)55-17-11-9-12-18-55)68-64-21-15-16-22-65(64)69(67-44-59(31-40-66(67)68)72-45-50-41-51(46-72)43-52(42-50)47-72)74(61-34-25-54(26-35-61)49(3)4)63-38-29-58(30-39-63)71(7,8)56-19-13-10-14-20-56;1-66(2,3)45-40-41-58-59(42-45)65(68(47-24-8-5-9-25-47)49-27-21-29-51(44-49)70-62-38-18-14-32-54(62)55-33-15-19-39-63(55)70)57-35-11-10-34-56(57)64(58)67(46-22-6-4-7-23-46)48-26-20-28-50(43-48)69-60-36-16-12-30-52(60)53-31-13-17-37-61(53)69;1-35(2)39-17-26-45(27-18-39)55(44-22-13-37(5)14-23-44)51-34-43(54(10,11)12)33-50-49(51)32-41-31-42(53(7,8)9)21-30-48(41)52(50)56(46-24-15-38(6)16-25-46)47-28-19-40(20-29-47)36(3)4;1-35(2)37-16-21-42(22-17-37)55(44-29-25-40(26-30-44)53(8)9)50-46-14-12-13-15-47(46)51(49-34-39(52(5,6)7)20-33-48(49)50)56(43-23-18-38(19-24-43)36(3)4)45-31-27-41(28-32-45)54(10)11;1-11-37(4)38-20-33-47-48(34-38)50(54(42-27-18-36(3)19-28-42)44-31-23-40(24-32-44)52(8,9)10)46-15-13-12-14-45(46)49(47)53(41-25-16-35(2)17-26-41)43-29-21-39(22-30-43)51(5,6)7;1-7-36(8-2)37-21-30-44-45(31-37)47(49(40-26-17-34(5)18-27-40)41-28-19-35(6)20-29-41)43-12-10-9-11-42(43)46(44)48(38-22-13-32(3)14-23-38)39-24-15-33(4)16-25-39/h9-40,44,48-52H,41-43,45-47H2,1-8H3;4-44H,1-3H3;13-36H,1-12H3;12-36H,1-11H3;12-34,37H,11H2,1-10H3;9-31,36H,7-8H2,1-6H3.

What are the key properties of 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine?

2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine has a molecular weight of 4690.64 g/mol, XLogP of 99.45, 56 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine is sourced from PubChem (CID 160724839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).