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

C138H132N4O4 — CID 158424136

IUPAC1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cc(C(C)(C)C)c2oc3c(N(c4ccccc4)c4cc(C(C)C)c5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(C(C)(C)C)cc(C)cc78)cc(C(C)C)c7ccc4c5c76)cccc3c2c1.Cc1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(C(C)(C)C)cc(C)cc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C(C)(C)C)cc(C)cc23)cc1
InChIInChI=1S/C70H68N2O2.C68H64N2O2/c1-39(2)53-37-61(71(45-25-21-41(5)22-26-45)59-19-15-17-49-55-33-43(7)35-57(69(9,10)11)65(55)73-67(49)59)51-32-30-48-54(40(3)4)38-62(52-31-29-47(53)63(51)64(48)52)72(46-27-23-42(6)24-28-46)60-20-16-18-50-56-34-44(8)36-58(70(12,13)14)66(56)74-68(50)60;1-39(2)51-37-59(69(43-21-15-13-16-22-43)57-27-19-25-47-53-33-41(5)35-55(67(7,8)9)63(53)71-65(47)57)49-32-30-46-52(40(3)4)38-60(50-31-29-45(51)61(49)62(46)50)70(44-23-17-14-18-24-44)58-28-20-26-48-54-34-42(6)36-56(68(10,11)12)64(54)72-66(48)58/h15-40H,1-14H3;13-40H,1-12H3
InChIKeyHAVNTWLRBAKAPZ-UHFFFAOYSA-N
MW1910.60 g/mol
LogP42.18
Rot. Bonds16

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

1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 158424136) has the molecular formula C138H132N4O4 and a molecular weight of 1910.60 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID158424136
Molecular FormulaC138H132N4O4
Molecular Weight1910.60 g/mol
Exact Mass1909.02
IUPAC Name1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cc(C(C)(C)C)c2oc3c(N(c4ccccc4)c4cc(C(C)C)c5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(C(C)(C)C)cc(C)cc78)cc(C(C)C)c7ccc4c5c76)cccc3c2c1.Cc1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(C(C)(C)C)cc(C)cc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C(C)(C)C)cc(C)cc23)cc1
InChIInChI=1S/C70H68N2O2.C68H64N2O2/c1-39(2)53-37-61(71(45-25-21-41(5)22-26-45)59-19-15-17-49-55-33-43(7)35-57(69(9,10)11)65(55)73-67(49)59)51-32-30-48-54(40(3)4)38-62(52-31-29-47(53)63(51)64(48)52)72(46-27-23-42(6)24-28-46)60-20-16-18-50-56-34-44(8)36-58(70(12,13)14)66(56)74-68(50)60;1-39(2)51-37-59(69(43-21-15-13-16-22-43)57-27-19-25-47-53-33-41(5)35-55(67(7,8)9)63(53)71-65(47)57)49-32-30-46-52(40(3)4)38-60(50-31-29-45(51)61(49)62(46)50)70(44-23-17-14-18-24-44)58-28-20-26-48-54-34-42(6)36-56(68(10,11)12)64(54)72-66(48)58/h15-40H,1-14H3;13-40H,1-12H3
InChIKeyHAVNTWLRBAKAPZ-UHFFFAOYSA-N
XLogP42.18
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001910.60
LogP ≤ 542.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

CID 163469491
CID 163469491
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158198718
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
7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 122578935
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 153297491
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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(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-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 163594288
1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[3-[3-tris(4-methylphenyl)silylphenyl]phenyl]pyrene-1,6-diamine
CID 155620055
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-(iodomethyl)phenyl]-6-N-(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144918952
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146497189
1-N-dibenzofuran-4-yl-6-N-(6,7-didehydrodibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 130453342
1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144583526
13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methyl-5-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-propan-2-yldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 158015007

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 158424136) is 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine is Cc1cc(C(C)(C)C)c2oc3c(N(c4ccccc4)c4cc(C(C)C)c5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(C(C)(C)C)cc(C)cc78)cc(C(C)C)c7ccc4c5c76)cccc3c2c1.Cc1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(C(C)(C)C)cc(C)cc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C(C)(C)C)cc(C)cc23)cc1.
What is the InChIKey of 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is HAVNTWLRBAKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H68N2O2.C68H64N2O2/c1-39(2)53-37-61(71(45-25-21-41(5)22-26-45)59-19-15-17-49-55-33-43(7)35-57(69(9,10)11)65(55)73-67(49)59)51-32-30-48-54(40(3)4)38-62(52-31-29-47(53)63(51)64(48)52)72(46-27-23-42(6)24-28-46)60-20-16-18-50-56-34-44(8)36-58(70(12,13)14)66(56)74-68(50)60;1-39(2)51-37-59(69(43-21-15-13-16-22-43)57-27-19-25-47-53-33-41(5)35-55(67(7,8)9)63(53)71-65(47)57)49-32-30-46-52(40(3)4)38-60(50-31-29-45(51)61(49)62(46)50)70(44-23-17-14-18-24-44)58-28-20-26-48-54-34-42(6)36-56(68(10,11)12)64(54)72-66(48)58/h15-40H,1-14H3;13-40H,1-12H3.
What are the key properties of 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 1910.60 g/mol, XLogP of 42.18, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 158424136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).