1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine

C140H128N4O4 — CID 157477279

IUPAC1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3ccc4c(N(c5ccc(C(C)(C)C)cc5)c5c(C6CCCCC6)ccc6c5oc5ccccc56)ccc5ccc2c3c54)c2c(C3CCCCC3)ccc3c2oc2ccccc23)cc1.Cc1cc(C)cc(N(c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5c(C6CCCCC6)ccc6c5oc5ccccc56)ccc5ccc2c3c54)c2c(C3CCCCC3)ccc3c2oc2ccccc23)c1
InChIInChI=1S/C72H68N2O2.C68H60N2O2/c1-71(2,3)49-29-33-51(34-30-49)73(67-53(45-17-9-7-10-18-45)39-41-57-55-21-13-15-23-63(55)75-69(57)67)61-43-27-47-26-38-60-62(44-28-48-25-37-59(61)65(47)66(48)60)74(52-35-31-50(32-36-52)72(4,5)6)68-54(46-19-11-8-12-20-46)40-42-58-56-22-14-16-24-64(56)76-70(58)68;1-41-35-42(2)38-49(37-41)69(65-51(45-15-7-5-8-16-45)29-31-55-53-19-11-13-21-61(53)71-67(55)65)59-33-25-47-24-28-58-60(34-26-48-23-27-57(59)63(47)64(48)58)70(50-39-43(3)36-44(4)40-50)66-52(46-17-9-6-10-18-46)30-32-56-54-20-12-14-22-62(54)72-68(56)66/h13-16,21-46H,7-12,17-20H2,1-6H3;11-14,19-40,45-46H,5-10,15-18H2,1-4H3
InChIKeyBVSZRIFOAWJLSE-UHFFFAOYSA-N
MW1930.59 g/mol
LogP42.66
Rot. Bonds16

About 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine (PubChem CID 157477279) has the molecular formula C140H128N4O4 and a molecular weight of 1930.59 g/mol. Its IUPAC name is 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
PubChem CID157477279
Molecular FormulaC140H128N4O4
Molecular Weight1930.59 g/mol
Exact Mass1928.99
IUPAC Name1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3ccc4c(N(c5ccc(C(C)(C)C)cc5)c5c(C6CCCCC6)ccc6c5oc5ccccc56)ccc5ccc2c3c54)c2c(C3CCCCC3)ccc3c2oc2ccccc23)cc1.Cc1cc(C)cc(N(c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5c(C6CCCCC6)ccc6c5oc5ccccc56)ccc5ccc2c3c54)c2c(C3CCCCC3)ccc3c2oc2ccccc23)c1
InChIInChI=1S/C72H68N2O2.C68H60N2O2/c1-71(2,3)49-29-33-51(34-30-49)73(67-53(45-17-9-7-10-18-45)39-41-57-55-21-13-15-23-63(55)75-69(57)67)61-43-27-47-26-38-60-62(44-28-48-25-37-59(61)65(47)66(48)60)74(52-35-31-50(32-36-52)72(4,5)6)68-54(46-19-11-8-12-20-46)40-42-58-56-22-14-16-24-64(56)76-70(58)68;1-41-35-42(2)38-49(37-41)69(65-51(45-15-7-5-8-16-45)29-31-55-53-19-11-13-21-61(53)71-67(55)65)59-33-25-47-24-28-58-60(34-26-48-23-27-57(59)63(47)64(48)58)70(50-39-43(3)36-44(4)40-50)66-52(46-17-9-6-10-18-46)30-32-56-54-20-12-14-22-62(54)72-68(56)66/h13-16,21-46H,7-12,17-20H2,1-6H3;11-14,19-40,45-46H,5-10,15-18H2,1-4H3
InChIKeyBVSZRIFOAWJLSE-UHFFFAOYSA-N
XLogP42.66
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001930.59
LogP ≤ 542.66
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(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(3-ethyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 153297521
N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
CID 158759545
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
1-N-(4-tert-butylphenyl)-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N-[4-(1-methylcyclobutyl)phenyl]pyrene-1,6-diamine
CID 126699108
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158236047
4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine
CID 138572784
3,8-dicyclohexyl-1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
CID 118333169
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 162104018
1-N,1-N,6-N,6-N-tetrakis(3-methyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 153297565
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-cyclopentylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)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(3-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(4-methylphenyl)-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 160974099

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine (CID 157477279) is 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine is CC(C)(C)c1ccc(N(c2ccc3ccc4c(N(c5ccc(C(C)(C)C)cc5)c5c(C6CCCCC6)ccc6c5oc5ccccc56)ccc5ccc2c3c54)c2c(C3CCCCC3)ccc3c2oc2ccccc23)cc1.Cc1cc(C)cc(N(c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5c(C6CCCCC6)ccc6c5oc5ccccc56)ccc5ccc2c3c54)c2c(C3CCCCC3)ccc3c2oc2ccccc23)c1.
What is the InChIKey of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine?
The InChIKey is BVSZRIFOAWJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H68N2O2.C68H60N2O2/c1-71(2,3)49-29-33-51(34-30-49)73(67-53(45-17-9-7-10-18-45)39-41-57-55-21-13-15-23-63(55)75-69(57)67)61-43-27-47-26-38-60-62(44-28-48-25-37-59(61)65(47)66(48)60)74(52-35-31-50(32-36-52)72(4,5)6)68-54(46-19-11-8-12-20-46)40-42-58-56-22-14-16-24-64(56)76-70(58)68;1-41-35-42(2)38-49(37-41)69(65-51(45-15-7-5-8-16-45)29-31-55-53-19-11-13-21-61(53)71-67(55)65)59-33-25-47-24-28-58-60(34-26-48-23-27-57(59)63(47)64(48)58)70(50-39-43(3)36-44(4)40-50)66-52(46-17-9-6-10-18-46)30-32-56-54-20-12-14-22-62(54)72-68(56)66/h13-16,21-46H,7-12,17-20H2,1-6H3;11-14,19-40,45-46H,5-10,15-18H2,1-4H3.
What are the key properties of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine has a molecular weight of 1930.59 g/mol, XLogP of 42.66, 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(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 157477279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).