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

C160H100F4N4 — CID 159493830

IUPAC1-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
SMILES[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3ccc4ccccc4c3)cc2-c2ccc3ccccc3c2)c2ccc3ccc4c(N(c5c(F)cc(-c6ccc7ccccc7c6)cc5-c5ccc6ccccc6c5)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(-c3cccc4ccccc34)cc2-c2cccc3ccccc23)c2ccc3ccc4c(N(c5c(F)cc(-c6cccc7ccccc67)cc5-c5cccc6ccccc56)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H]
InChIInChI=1S/2C80H50F2N2/c81-73-49-57(65-35-15-23-51-19-7-11-31-61(51)65)47-71(67-37-17-25-53-21-9-13-33-63(53)67)79(73)83(59-27-3-1-4-28-59)75-45-41-55-40-44-70-76(46-42-56-39-43-69(75)77(55)78(56)70)84(60-29-5-2-6-30-60)80-72(68-38-18-26-54-22-10-14-34-64(54)68)48-58(50-74(80)82)66-36-16-24-52-20-8-12-32-62(52)66;81-73-49-65(61-31-27-51-15-7-11-19-57(51)43-61)47-71(63-33-29-53-17-9-13-21-59(53)45-63)79(73)83(67-23-3-1-4-24-67)75-41-37-55-36-40-70-76(42-38-56-35-39-69(75)77(55)78(56)70)84(68-25-5-2-6-26-68)80-72(64-34-30-54-18-10-14-22-60(54)46-64)48-66(50-74(80)82)62-32-28-52-16-8-12-20-58(52)44-62/h2*1-50H/i1D,2D,3D,4D,5D,6D,27D,28D,29D,30D;1D,2D,3D,4D,5D,6D,23D,24D,25D,26D
InChIKeyLYNKHLAJNCPTTC-JDVLQKMASA-N
MW2174.70 g/mol
LogP46.17
Rot. Bonds20

About 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

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 (PubChem CID 159493830) has the molecular formula C160H100F4N4 and a molecular weight of 2174.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159493830
Molecular FormulaC160H100F4N4
Molecular Weight2174.70 g/mol
Exact Mass2172.91
IUPAC Name1-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
SMILES[2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3ccc4ccccc4c3)cc2-c2ccc3ccccc3c2)c2ccc3ccc4c(N(c5c(F)cc(-c6ccc7ccccc7c6)cc5-c5ccc6ccccc6c5)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(-c3cccc4ccccc34)cc2-c2cccc3ccccc23)c2ccc3ccc4c(N(c5c(F)cc(-c6cccc7ccccc67)cc5-c5cccc6ccccc56)c5c([2H])c([2H])c([2H])c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H]
InChIInChI=1S/2C80H50F2N2/c81-73-49-57(65-35-15-23-51-19-7-11-31-61(51)65)47-71(67-37-17-25-53-21-9-13-33-63(53)67)79(73)83(59-27-3-1-4-28-59)75-45-41-55-40-44-70-76(46-42-56-39-43-69(75)77(55)78(56)70)84(60-29-5-2-6-30-60)80-72(68-38-18-26-54-22-10-14-34-64(54)68)48-58(50-74(80)82)66-36-16-24-52-20-8-12-32-62(52)66;81-73-49-65(61-31-27-51-15-7-11-19-57(51)43-61)47-71(63-33-29-53-17-9-13-21-59(53)45-63)79(73)83(67-23-3-1-4-24-67)75-41-37-55-36-40-70-76(42-38-56-35-39-69(75)77(55)78(56)70)84(68-25-5-2-6-26-68)80-72(64-34-30-54-18-10-14-22-60(54)46-64)48-66(50-74(80)82)62-32-28-52-16-8-12-20-58(52)44-62/h2*1-50H/i1D,2D,3D,4D,5D,6D,27D,28D,29D,30D;1D,2D,3D,4D,5D,6D,23D,24D,25D,26D
InChIKeyLYNKHLAJNCPTTC-JDVLQKMASA-N
XLogP46.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002174.70
LogP ≤ 546.17
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-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 with MolForge

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Related Compounds

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[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
CID 159830028
CID 159830028
1-N,6-N-bis(6-fluoro-2,3-dinaphthalen-1-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-fluoro-2,3-dinaphthalen-2-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 157391856
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[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 59357909
1-(3-naphthalen-2-ylphenyl)-6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrene
CID 170778671
1-N,6-N-bis[2,4-difluoro-6-(3-fluorophenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099255
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,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 171451497
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171451835

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(N(c2c(F)cc(-c3ccc4ccccc4c3)cc2-c2ccc3ccccc3c2)c2ccc3ccc4c(N(c5c(F)cc(-c6ccc7ccccc7c6)cc5-c5ccc6ccccc6c5)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(-c3cccc4ccccc34)cc2-c2cccc3ccccc23)c2ccc3ccc4c(N(c5c(F)cc(-c6cccc7ccccc67)cc5-c5cccc6ccccc56)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-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?
The InChIKey is LYNKHLAJNCPTTC-JDVLQKMASA-N. The full InChI is InChI=1S/2C80H50F2N2/c81-73-49-57(65-35-15-23-51-19-7-11-31-61(51)65)47-71(67-37-17-25-53-21-9-13-33-63(53)67)79(73)83(59-27-3-1-4-28-59)75-45-41-55-40-44-70-76(46-42-56-39-43-69(75)77(55)78(56)70)84(60-29-5-2-6-30-60)80-72(68-38-18-26-54-22-10-14-34-64(54)68)48-58(50-74(80)82)66-36-16-24-52-20-8-12-32-62(52)66;81-73-49-65(61-31-27-51-15-7-11-19-57(51)43-61)47-71(63-33-29-53-17-9-13-21-59(53)45-63)79(73)83(67-23-3-1-4-24-67)75-41-37-55-36-40-70-76(42-38-56-35-39-69(75)77(55)78(56)70)84(68-25-5-2-6-26-68)80-72(64-34-30-54-18-10-14-22-60(54)46-64)48-66(50-74(80)82)62-32-28-52-16-8-12-20-58(52)44-62/h2*1-50H/i1D,2D,3D,4D,5D,6D,27D,28D,29D,30D;1D,2D,3D,4D,5D,6D,23D,24D,25D,26D.
What are the key properties of 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?
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 has a molecular weight of 2174.70 g/mol, XLogP of 46.17, 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-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 is sourced from PubChem (CID 159493830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).