1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine

C144H116F4N4 — CID 159492615

IUPAC1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3cc(C)cc(C)c3)cc2-c2cc(C)cc(C)c2)c2ccc3ccc4c(N(c5c(F)cc(-c6cc(C)cc(C)c6)cc5-c5cc(C)cc(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)c2ccc3ccc4c(N(c5c(F)cc(-c6ccc(C)c(C)c6)cc5-c5ccc(C)c(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H]
InChIInChI=1S/2C72H58F2N2/c1-43-27-44(2)32-53(31-43)55-39-63(57-35-47(5)29-48(6)36-57)71(65(73)41-55)75(59-15-11-9-12-16-59)67-25-21-51-20-24-62-68(26-22-52-19-23-61(67)69(51)70(52)62)76(60-17-13-10-14-18-60)72-64(58-37-49(7)30-50(8)38-58)40-56(42-66(72)74)54-33-45(3)28-46(4)34-54;1-43-19-23-53(35-47(43)5)57-39-63(55-25-21-45(3)49(7)37-55)71(65(73)41-57)75(59-15-11-9-12-16-59)67-33-29-51-28-32-62-68(34-30-52-27-31-61(67)69(51)70(52)62)76(60-17-13-10-14-18-60)72-64(56-26-22-46(4)50(8)38-56)40-58(42-66(72)74)54-24-20-44(2)48(6)36-54/h2*9-42H,1-8H3/i2*9D,10D,11D,12D,13D,14D,15D,16D,17D,18D
InChIKeyLYJOTOFWKRRYLG-XTTGGBBZSA-N
MW1998.65 g/mol
LogP41.87
Rot. Bonds20

About 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine

1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine (PubChem CID 159492615) has the molecular formula C144H116F4N4 and a molecular weight of 1998.65 g/mol. Its IUPAC name is 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
PubChem CID159492615
Molecular FormulaC144H116F4N4
Molecular Weight1998.65 g/mol
Exact Mass1997.04
IUPAC Name1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3cc(C)cc(C)c3)cc2-c2cc(C)cc(C)c2)c2ccc3ccc4c(N(c5c(F)cc(-c6cc(C)cc(C)c6)cc5-c5cc(C)cc(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)c2ccc3ccc4c(N(c5c(F)cc(-c6ccc(C)c(C)c6)cc5-c5ccc(C)c(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H]
InChIInChI=1S/2C72H58F2N2/c1-43-27-44(2)32-53(31-43)55-39-63(57-35-47(5)29-48(6)36-57)71(65(73)41-55)75(59-15-11-9-12-16-59)67-25-21-51-20-24-62-68(26-22-52-19-23-61(67)69(51)70(52)62)76(60-17-13-10-14-18-60)72-64(58-37-49(7)30-50(8)38-58)40-56(42-66(72)74)54-33-45(3)28-46(4)34-54;1-43-19-23-53(35-47(43)5)57-39-63(55-25-21-45(3)49(7)37-55)71(65(73)41-57)75(59-15-11-9-12-16-59)67-33-29-51-28-32-62-68(34-30-52-27-31-61(67)69(51)70(52)62)76(60-17-13-10-14-18-60)72-64(56-26-22-46(4)50(8)38-56)40-58(42-66(72)74)54-24-20-44(2)48(6)36-54/h2*9-42H,1-8H3/i2*9D,10D,11D,12D,13D,14D,15D,16D,17D,18D
InChIKeyLYJOTOFWKRRYLG-XTTGGBBZSA-N
XLogP41.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001998.65
LogP ≤ 541.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(2-fluoro-4,6-dinaphthalen-1-ylphenyl)-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-fluoro-4,6-dinaphthalen-2-ylphenyl)-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 159493830
1-N,6-N-bis[2-fluoro-4,5-bis(4-methylphenyl)phenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 59358131
4-[N-[6-(4-cyano-N-[2-fluoro-4,6-bis(3-methylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(3-methylphenyl)anilino]benzonitrile
CID 89056821
1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)-2-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 59357978
1-N,5-N-bis[2-fluoro-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,5-N-dinaphthalen-2-ylpyrene-1,5-diamine
CID 59357780
1-N,6-N-bis[3,5-bis(2,3-dimethylphenyl)-2-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 59357813
CID 159830028
CID 159830028
1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
CID 59357994
1-N,6-N-bis[2,4-bis(3-tert-butylphenyl)-6-fluorophenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357618
1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine
CID 59357685
1-N,6-N-bis[2,3-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357816
4-[N-[6-(4-cyano-N-[2,4-difluoro-6-(4-methylphenyl)phenyl]anilino)pyren-1-yl]-2,4-difluoro-6-(4-methylphenyl)anilino]benzonitrile
CID 88985122

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine (CID 159492615) is 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine is [2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3cc(C)cc(C)c3)cc2-c2cc(C)cc(C)c2)c2ccc3ccc4c(N(c5c(F)cc(-c6cc(C)cc(C)c6)cc5-c5cc(C)cc(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)c2ccc3ccc4c(N(c5c(F)cc(-c6ccc(C)c(C)c6)cc5-c5ccc(C)c(C)c5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H].
What is the InChIKey of 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine?
The InChIKey is LYJOTOFWKRRYLG-XTTGGBBZSA-N. The full InChI is InChI=1S/2C72H58F2N2/c1-43-27-44(2)32-53(31-43)55-39-63(57-35-47(5)29-48(6)36-57)71(65(73)41-55)75(59-15-11-9-12-16-59)67-25-21-51-20-24-62-68(26-22-52-19-23-61(67)69(51)70(52)62)76(60-17-13-10-14-18-60)72-64(58-37-49(7)30-50(8)38-58)40-56(42-66(72)74)54-33-45(3)28-46(4)34-54;1-43-19-23-53(35-47(43)5)57-39-63(55-25-21-45(3)49(7)37-55)71(65(73)41-57)75(59-15-11-9-12-16-59)67-33-29-51-28-32-62-68(34-30-52-27-31-61(67)69(51)70(52)62)76(60-17-13-10-14-18-60)72-64(56-26-22-46(4)50(8)38-56)40-58(42-66(72)74)54-24-20-44(2)48(6)36-54/h2*9-42H,1-8H3/i2*9D,10D,11D,12D,13D,14D,15D,16D,17D,18D.
What are the key properties of 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine?
1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine has a molecular weight of 1998.65 g/mol, XLogP of 41.87, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis[2,4-bis(3,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,4-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine is sourced from PubChem (CID 159492615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).