1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine

C144H116F4N4 — CID 158390523

IUPAC1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
SMILESCC(C)(C)c1cccc(N(c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3ccc4c(N(c5cccc(C(C)(C)C)c5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc5ccc2c3c54)c1.CC(C)(C)c1ccccc1N(c1c(F)cc(-c2ccccc2)cc1-c1ccccc1)c1ccc2ccc3c(N(c4ccccc4C(C)(C)C)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43
InChIInChI=1S/2C72H58F2N2/c1-71(2,3)59-31-19-21-33-65(59)75(69-57(49-27-15-9-16-28-49)43-53(45-61(69)73)47-23-11-7-12-24-47)63-41-37-51-36-40-56-64(42-38-52-35-39-55(63)67(51)68(52)56)76(66-34-22-20-32-60(66)72(4,5)6)70-58(50-29-17-10-18-30-50)44-54(46-62(70)74)48-25-13-8-14-26-48;1-71(2,3)55-29-19-31-57(45-55)75(69-61(49-25-15-9-16-26-49)41-53(43-63(69)73)47-21-11-7-12-22-47)65-39-35-51-34-38-60-66(40-36-52-33-37-59(65)67(51)68(52)60)76(58-32-20-30-56(46-58)72(4,5)6)70-62(50-27-17-10-18-28-50)42-54(44-64(70)74)48-23-13-8-14-24-48/h2*7-46H,1-6H3
InChIKeyGWXGPRABRMLOJG-UHFFFAOYSA-N
MW1978.53 g/mol
LogP42.13
Rot. Bonds20

About 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine (PubChem CID 158390523) has the molecular formula C144H116F4N4 and a molecular weight of 1978.53 g/mol. Its IUPAC name is 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
PubChem CID158390523
Molecular FormulaC144H116F4N4
Molecular Weight1978.53 g/mol
Exact Mass1976.91
IUPAC Name1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
SMILESCC(C)(C)c1cccc(N(c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3ccc4c(N(c5cccc(C(C)(C)C)c5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc5ccc2c3c54)c1.CC(C)(C)c1ccccc1N(c1c(F)cc(-c2ccccc2)cc1-c1ccccc1)c1ccc2ccc3c(N(c4ccccc4C(C)(C)C)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43
InChIInChI=1S/2C72H58F2N2/c1-71(2,3)59-31-19-21-33-65(59)75(69-57(49-27-15-9-16-28-49)43-53(45-61(69)73)47-23-11-7-12-24-47)63-41-37-51-36-40-56-64(42-38-52-35-39-55(63)67(51)68(52)56)76(66-34-22-20-32-60(66)72(4,5)6)70-58(50-29-17-10-18-30-50)44-54(46-62(70)74)48-25-13-8-14-26-48;1-71(2,3)55-29-19-31-57(45-55)75(69-61(49-25-15-9-16-26-49)41-53(43-63(69)73)47-21-11-7-12-22-47)65-39-35-51-34-38-60-66(40-36-52-33-37-59(65)67(51)68(52)60)76(58-32-20-30-56(46-58)72(4,5)6)70-62(50-27-17-10-18-28-50)42-54(44-64(70)74)48-23-13-8-14-24-48/h2*7-46H,1-6H3
InChIKeyGWXGPRABRMLOJG-UHFFFAOYSA-N
XLogP42.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001978.53
LogP ≤ 542.13
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-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

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-tert-butylphenyl)-1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]pyrene-1,6-diamine
CID 59357783
1-N,6-N-bis[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-1-N-(2-tert-butylphenyl)-6-N-(2-propan-2-ylphenyl)pyrene-1,6-diamine
CID 59357765
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
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
CID 159830028
CID 159830028
3-[N-[6-(N-[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-3-cyanoanilino)pyren-1-yl]-2,4-bis(4-tert-butylphenyl)-6-fluoroanilino]benzonitrile
CID 59358046
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[3,6-bis(3-tert-butylphenyl)-2-fluorophenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357808
1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
CID 59357645
1-N,6-N-bis(2-fluoro-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 88598762
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

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine (CID 158390523) is 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine is CC(C)(C)c1cccc(N(c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3ccc4c(N(c5cccc(C(C)(C)C)c5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc5ccc2c3c54)c1.CC(C)(C)c1ccccc1N(c1c(F)cc(-c2ccccc2)cc1-c1ccccc1)c1ccc2ccc3c(N(c4ccccc4C(C)(C)C)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43.
What is the InChIKey of 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine?
The InChIKey is GWXGPRABRMLOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H58F2N2/c1-71(2,3)59-31-19-21-33-65(59)75(69-57(49-27-15-9-16-28-49)43-53(45-61(69)73)47-23-11-7-12-24-47)63-41-37-51-36-40-56-64(42-38-52-35-39-55(63)67(51)68(52)56)76(66-34-22-20-32-60(66)72(4,5)6)70-58(50-29-17-10-18-30-50)44-54(46-62(70)74)48-25-13-8-14-26-48;1-71(2,3)55-29-19-31-57(45-55)75(69-61(49-25-15-9-16-26-49)41-53(43-63(69)73)47-21-11-7-12-22-47)65-39-35-51-34-38-60-66(40-36-52-33-37-59(65)67(51)68(52)60)76(58-32-20-30-56(46-58)72(4,5)6)70-62(50-27-17-10-18-28-50)42-54(44-64(70)74)48-23-13-8-14-24-48/h2*7-46H,1-6H3.
What are the key properties of 1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine has a molecular weight of 1978.53 g/mol, XLogP of 42.13, 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-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 158390523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).