1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine

C382H336N12 — CID 158294301

About 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 158294301) has the molecular formula C382H336N12 and a molecular weight of 5094.97 g/mol. Its IUPAC name is 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine
• PubChem CID: 158294301
• Molecular Formula: C382H336N12
• Molecular Weight: 5094.97 g/mol
• Exact Mass: 5090.67
• IUPAC Name: 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine
• SMILES: CCc1ccccc1N(c1cc(-c2ccccc2)ccc1C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4CC)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1cc(-c2ccccc2)ccc1C(C)(C)C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4cc(-c5ccccc5)ccc4C(C)(C)C)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1C(C)(C)C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4C(C)(C)C)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1C(C)C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4C(C)C)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1C1CCCC1)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4C4CCCC4)ccc4ccc1c2c43.Cc1ccc(C(C)(C)C)c(N(c2cc(-c3ccccc3)ccc2C)c2ccc3ccc4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(C)ccc5C(C)(C)C)ccc5ccc2c3c54)c1
• InChI: InChI=1S/C74H64N2.C64H56N2.C64H60N2.C62H56N2.C60H52N2.C58H48N2/c1-49-29-31-57(51-21-13-9-14-22-51)45-67(49)75(69-47-59(53-25-17-11-18-26-53)35-41-63(69)73(3,4)5)65-43-37-55-34-40-62-66(44-38-56-33-39-61(65)71(55)72(56)62)76(68-46-58(32-30-50(68)2)52-23-15-10-16-24-52)70-48-60(54-27-19-12-20-28-54)36-42-64(70)74(6,7)8;1-43-29-31-51(45-17-5-3-6-18-45)41-61(43)65(57-27-15-13-25-53(57)47-21-9-10-22-47)59-39-35-49-34-38-56-60(40-36-50-33-37-55(59)63(49)64(50)56)66(58-28-16-14-26-54(58)48-23-11-12-24-48)62-42-52(32-30-44(62)2)46-19-7-4-8-20-46;1-41-21-33-53(63(5,6)7)59(37-41)65(57-39-49(25-23-43(57)3)45-17-13-11-14-18-45)55-35-29-47-28-32-52-56(36-30-48-27-31-51(55)61(47)62(48)52)66(60-38-42(2)22-34-54(60)64(8,9)10)58-40-50(26-24-44(58)4)46-19-15-12-16-20-46;1-41-27-29-47(43-19-11-9-12-20-43)39-57(41)63(55-25-17-15-23-51(55)61(3,4)5)53-37-33-45-32-36-50-54(38-34-46-31-35-49(53)59(45)60(46)50)64(56-26-18-16-24-52(56)62(6,7)8)58-40-48(30-28-42(58)2)44-21-13-10-14-22-44;1-39(2)49-21-13-15-23-53(49)61(57-37-47(27-25-41(57)5)43-17-9-7-10-18-43)55-35-31-45-30-34-52-56(36-32-46-29-33-51(55)59(45)60(46)52)62(54-24-16-14-22-50(54)40(3)4)58-38-48(28-26-42(58)6)44-19-11-8-12-20-44;1-5-41-17-13-15-23-51(41)59(55-37-47(27-25-39(55)3)43-19-9-7-10-20-43)53-35-31-45-30-34-50-54(36-32-46-29-33-49(53)57(45)58(46)50)60(52-24-16-14-18-42(52)6-2)56-38-48(28-26-40(56)4)44-21-11-8-12-22-44/h9-48H,1-8H3;3-8,13-20,25-42,47-48H,9-12,21-24H2,1-2H3;11-40H,1-10H3;9-40H,1-8H3;7-40H,1-6H3;7-38H,5-6H2,1-4H3
• InChIKey: GLSJMVHLVABRDQ-UHFFFAOYSA-N
• XLogP: 111.27
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 56
• Heavy Atoms: 394
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5094.97
LogP ≤ 5	111.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine (CID 158294301) is 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine is CCc1ccccc1N(c1cc(-c2ccccc2)ccc1C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4CC)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1cc(-c2ccccc2)ccc1C(C)(C)C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4cc(-c5ccccc5)ccc4C(C)(C)C)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1C(C)(C)C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4C(C)(C)C)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1C(C)C)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4C(C)C)ccc4ccc1c2c43.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1C1CCCC1)c1ccc2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4ccccc4C4CCCC4)ccc4ccc1c2c43.Cc1ccc(C(C)(C)C)c(N(c2cc(-c3ccccc3)ccc2C)c2ccc3ccc4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(C)ccc5C(C)(C)C)ccc5ccc2c3c54)c1.

What is the InChIKey of 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine?

The InChIKey is GLSJMVHLVABRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2.C64H56N2.C64H60N2.C62H56N2.C60H52N2.C58H48N2/c1-49-29-31-57(51-21-13-9-14-22-51)45-67(49)75(69-47-59(53-25-17-11-18-26-53)35-41-63(69)73(3,4)5)65-43-37-55-34-40-62-66(44-38-56-33-39-61(65)71(55)72(56)62)76(68-46-58(32-30-50(68)2)52-23-15-10-16-24-52)70-48-60(54-27-19-12-20-28-54)36-42-64(70)74(6,7)8;1-43-29-31-51(45-17-5-3-6-18-45)41-61(43)65(57-27-15-13-25-53(57)47-21-9-10-22-47)59-39-35-49-34-38-56-60(40-36-50-33-37-55(59)63(49)64(50)56)66(58-28-16-14-26-54(58)48-23-11-12-24-48)62-42-52(32-30-44(62)2)46-19-7-4-8-20-46;1-41-21-33-53(63(5,6)7)59(37-41)65(57-39-49(25-23-43(57)3)45-17-13-11-14-18-45)55-35-29-47-28-32-52-56(36-30-48-27-31-51(55)61(47)62(48)52)66(60-38-42(2)22-34-54(60)64(8,9)10)58-40-50(26-24-44(58)4)46-19-15-12-16-20-46;1-41-27-29-47(43-19-11-9-12-20-43)39-57(41)63(55-25-17-15-23-51(55)61(3,4)5)53-37-33-45-32-36-50-54(38-34-46-31-35-49(53)59(45)60(46)50)64(56-26-18-16-24-52(56)62(6,7)8)58-40-48(30-28-42(58)2)44-21-13-10-14-22-44;1-39(2)49-21-13-15-23-53(49)61(57-37-47(27-25-41(57)5)43-17-9-7-10-18-43)55-35-31-45-30-34-52-56(36-32-46-29-33-51(55)59(45)60(46)52)62(54-24-16-14-22-50(54)40(3)4)58-38-48(28-26-42(58)6)44-19-11-8-12-20-44;1-5-41-17-13-15-23-51(41)59(55-37-47(27-25-39(55)3)43-19-9-7-10-20-43)53-35-31-45-30-34-50-54(36-32-46-29-33-49(53)57(45)58(46)50)60(52-24-16-14-18-42(52)6-2)56-38-48(28-26-40(56)4)44-21-11-8-12-22-44/h9-48H,1-8H3;3-8,13-20,25-42,47-48H,9-12,21-24H2,1-2H3;11-40H,1-10H3;9-40H,1-8H3;7-40H,1-6H3;7-38H,5-6H2,1-4H3.

What are the key properties of 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine?

1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 5094.97 g/mol, XLogP of 111.27, 56 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis(2-tert-butyl-5-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-cyclopentylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-ethylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 158294301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).