1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine

C314H264N10S10 — CID 160938215

About 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 160938215) has the molecular formula C314H264N10S10 and a molecular weight of 4498.31 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
• PubChem CID: 160938215
• Molecular Formula: C314H264N10S10
• Molecular Weight: 4498.31 g/mol
• Exact Mass: 4493.82
• IUPAC Name: 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
• SMILES: Cc1ccc(C(C)(C)C)cc1N(c1ccc2ccc3c(N(c4cc(C(C)(C)C)ccc4C)c4c(C)ccc5c4sc4ccccc45)ccc4ccc1c2c43)c1c(C)ccc2c1sc1ccccc12.Cc1ccc2c(sc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(C)ccc5c4sc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43.Cc1ccc2c(sc3ccccc32)c1N(c1ccc(C2CCCC2)cc1)c1ccc2ccc3c(N(c4ccc(C5CCCC5)cc4)c4c(C)ccc5c4sc4ccccc45)ccc4ccc1c2c43.Cc1ccc2c(sc3ccccc32)c1N(c1cccc(C(C)C)c1)c1ccc2ccc3c(N(c4cccc(C(C)C)c4)c4c(C)ccc5c4sc4ccccc45)ccc4ccc1c2c43.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccccc4C)c4c(C)ccc5c4sc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1c(C)ccc2c1sc1c(C(C)(C)C)cccc12
• InChI: InChI=1S/C64H52N2S2.2C64H56N2S2.C62H52N2S2.C60H48N2S2/c1-39-19-33-51-49-15-7-9-17-57(49)67-63(51)61(39)65(47-29-21-43(22-30-47)41-11-3-4-12-41)55-37-27-45-26-36-54-56(38-28-46-25-35-53(55)59(45)60(46)54)66(48-31-23-44(24-32-48)42-13-5-6-14-42)62-40(2)20-34-52-50-16-8-10-18-58(50)68-64(52)62;1-37-17-11-13-23-51(37)65(57-39(3)25-31-45-43-19-15-21-49(63(5,6)7)59(43)67-61(45)57)53-35-29-41-28-34-48-54(36-30-42-27-33-47(53)55(41)56(42)48)66(52-24-14-12-18-38(52)2)58-40(4)26-32-46-44-20-16-22-50(64(8,9)10)60(44)68-62(46)58;1-37-19-27-43(63(5,6)7)35-53(37)65(59-39(3)21-29-47-45-15-11-13-17-55(45)67-61(47)59)51-33-25-41-24-32-50-52(34-26-42-23-31-49(51)57(41)58(42)50)66(54-36-44(64(8,9)10)28-20-38(54)2)60-40(4)22-30-48-46-16-12-14-18-56(46)68-62(48)60;1-37-25-31-45-43-21-15-23-49(61(3,4)5)57(43)65-59(45)55(37)63(41-17-11-9-12-18-41)51-35-29-39-28-34-48-52(36-30-40-27-33-47(51)53(39)54(40)48)64(42-19-13-10-14-20-42)56-38(2)26-32-46-44-22-16-24-50(62(6,7)8)58(44)66-60(46)56;1-35(2)41-13-11-15-43(33-41)61(57-37(5)21-27-47-45-17-7-9-19-53(45)63-59(47)57)51-31-25-39-24-30-50-52(32-26-40-23-29-49(51)55(39)56(40)50)62(44-16-12-14-42(34-44)36(3)4)58-38(6)22-28-48-46-18-8-10-20-54(46)64-60(48)58/h7-10,15-38,41-42H,3-6,11-14H2,1-2H3;2*11-36H,1-10H3;9-36H,1-8H3;7-36H,1-6H3
• InChIKey: SUDQONZMVVWQDZ-UHFFFAOYSA-N
• XLogP: 98.96
• TPSA: 32.40 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4498.31
LogP ≤ 5	98.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine (CID 160938215) is 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine is Cc1ccc(C(C)(C)C)cc1N(c1ccc2ccc3c(N(c4cc(C(C)(C)C)ccc4C)c4c(C)ccc5c4sc4ccccc45)ccc4ccc1c2c43)c1c(C)ccc2c1sc1ccccc12.Cc1ccc2c(sc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(C)ccc5c4sc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43.Cc1ccc2c(sc3ccccc32)c1N(c1ccc(C2CCCC2)cc1)c1ccc2ccc3c(N(c4ccc(C5CCCC5)cc4)c4c(C)ccc5c4sc4ccccc45)ccc4ccc1c2c43.Cc1ccc2c(sc3ccccc32)c1N(c1cccc(C(C)C)c1)c1ccc2ccc3c(N(c4cccc(C(C)C)c4)c4c(C)ccc5c4sc4ccccc45)ccc4ccc1c2c43.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccccc4C)c4c(C)ccc5c4sc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1c(C)ccc2c1sc1c(C(C)(C)C)cccc12.

What is the InChIKey of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?

The InChIKey is SUDQONZMVVWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2S2.2C64H56N2S2.C62H52N2S2.C60H48N2S2/c1-39-19-33-51-49-15-7-9-17-57(49)67-63(51)61(39)65(47-29-21-43(22-30-47)41-11-3-4-12-41)55-37-27-45-26-36-54-56(38-28-46-25-35-53(55)59(45)60(46)54)66(48-31-23-44(24-32-48)42-13-5-6-14-42)62-40(2)20-34-52-50-16-8-10-18-58(50)68-64(52)62;1-37-17-11-13-23-51(37)65(57-39(3)25-31-45-43-19-15-21-49(63(5,6)7)59(43)67-61(45)57)53-35-29-41-28-34-48-54(36-30-42-27-33-47(53)55(41)56(42)48)66(52-24-14-12-18-38(52)2)58-40(4)26-32-46-44-20-16-22-50(64(8,9)10)60(44)68-62(46)58;1-37-19-27-43(63(5,6)7)35-53(37)65(59-39(3)21-29-47-45-15-11-13-17-55(45)67-61(47)59)51-33-25-41-24-32-50-52(34-26-42-23-31-49(51)57(41)58(42)50)66(54-36-44(64(8,9)10)28-20-38(54)2)60-40(4)22-30-48-46-16-12-14-18-56(46)68-62(48)60;1-37-25-31-45-43-21-15-23-49(61(3,4)5)57(43)65-59(45)55(37)63(41-17-11-9-12-18-41)51-35-29-39-28-34-48-52(36-30-40-27-33-47(51)53(39)54(40)48)64(42-19-13-10-14-20-42)56-38(2)26-32-46-44-22-16-24-50(62(6,7)8)58(44)66-60(46)56;1-35(2)41-13-11-15-43(33-41)61(57-37(5)21-27-47-45-17-7-9-19-53(45)63-59(47)57)51-31-25-39-24-30-50-52(32-26-40-23-29-49(51)55(39)56(40)50)62(44-16-12-14-42(34-44)36(3)4)58-38(6)22-28-48-46-18-8-10-20-54(46)64-60(48)58/h7-10,15-38,41-42H,3-6,11-14H2,1-2H3;2*11-36H,1-10H3;9-36H,1-8H3;7-36H,1-6H3.

What are the key properties of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?

1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 4498.31 g/mol, XLogP of 98.96, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 160938215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).