1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

C201H170N6O6 — CID 161114249

About 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 161114249) has the molecular formula C201H170N6O6 and a molecular weight of 2765.61 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
• PubChem CID: 161114249
• Molecular Formula: C201H170N6O6
• Molecular Weight: 2765.61 g/mol
• Exact Mass: 2763.32
• IUPAC Name: 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
• SMILES: Cc1ccc(-c2ccccc2)cc1N(c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)ccc5c4oc4ccccc45)cc(C(C)C)c4ccc1c2c43)c1cccc2c1oc1ccccc12.Cc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4ccccc4)c4c(C)ccc5c4oc4c(C(C)(C)C)cccc45)cc(C(C)C)c4ccc1c2c43.Cc1ccccc1N(c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cccc5c4oc4ccccc45)cc(C(C)C)c4ccc1c2c43)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C73H58N2O2.C68H64N2O2.C60H48N2O2/c1-43(2)60-41-65(74(63-39-50(32-29-45(63)5)48-19-10-8-11-20-48)62-26-18-25-56-52-23-14-16-27-67(52)76-72(56)62)58-37-35-55-61(44(3)4)42-66(59-38-36-54(60)69(58)70(55)59)75(64-40-51(33-30-46(64)6)49-21-12-9-13-22-49)71-47(7)31-34-57-53-24-15-17-28-68(53)77-73(57)71;1-39(2)53-37-57(69(43-21-15-13-16-22-43)61-41(5)29-31-49-47-25-19-27-55(67(7,8)9)63(47)71-65(49)61)51-36-34-46-54(40(3)4)38-58(52-35-33-45(53)59(51)60(46)52)70(44-23-17-14-18-24-44)62-42(6)30-32-50-48-26-20-28-56(68(10,11)12)64(48)72-66(50)62;1-35(2)47-33-53(61(49-23-11-7-17-37(49)5)51-25-15-21-43-39-19-9-13-27-55(39)63-59(43)51)45-32-30-42-48(36(3)4)34-54(46-31-29-41(47)57(45)58(42)46)62(50-24-12-8-18-38(50)6)52-26-16-22-44-40-20-10-14-28-56(40)64-60(44)52/h8-44H,1-7H3;13-40H,1-12H3;7-36H,1-6H3
• InChIKey: UKCJNNKULFMTFD-UHFFFAOYSA-N
• XLogP: 60.80
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2765.61
LogP ≤ 5	60.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 161114249) is 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is Cc1ccc(-c2ccccc2)cc1N(c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)ccc5c4oc4ccccc45)cc(C(C)C)c4ccc1c2c43)c1cccc2c1oc1ccccc12.Cc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4ccccc4)c4c(C)ccc5c4oc4c(C(C)(C)C)cccc45)cc(C(C)C)c4ccc1c2c43.Cc1ccccc1N(c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cccc5c4oc4ccccc45)cc(C(C)C)c4ccc1c2c43)c1cccc2c1oc1ccccc12.

What is the InChIKey of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?

The InChIKey is UKCJNNKULFMTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N2O2.C68H64N2O2.C60H48N2O2/c1-43(2)60-41-65(74(63-39-50(32-29-45(63)5)48-19-10-8-11-20-48)62-26-18-25-56-52-23-14-16-27-67(52)76-72(56)62)58-37-35-55-61(44(3)4)42-66(59-38-36-54(60)69(58)70(55)59)75(64-40-51(33-30-46(64)6)49-21-12-9-13-22-49)71-47(7)31-34-57-53-24-15-17-28-68(53)77-73(57)71;1-39(2)53-37-57(69(43-21-15-13-16-22-43)61-41(5)29-31-49-47-25-19-27-55(67(7,8)9)63(47)71-65(49)61)51-36-34-46-54(40(3)4)38-58(52-35-33-45(53)59(51)60(46)52)70(44-23-17-14-18-24-44)62-42(6)30-32-50-48-26-20-28-56(68(10,11)12)64(48)72-66(50)62;1-35(2)47-33-53(61(49-23-11-7-17-37(49)5)51-25-15-21-43-39-19-9-13-27-55(39)63-59(43)51)45-32-30-42-48(36(3)4)34-54(46-31-29-41(47)57(45)58(42)46)62(50-24-12-8-18-38(50)6)52-26-16-22-44-40-20-10-14-28-56(40)64-60(44)52/h8-44H,1-7H3;13-40H,1-12H3;7-36H,1-6H3.

What are the key properties of 1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?

1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 2765.61 g/mol, XLogP of 60.80, 26 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(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 161114249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).