1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine

C68H50F2N2 — CID 59358005

IUPAC1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1ccccc1-c1ccc(F)c(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5c(F)ccc(-c6ccccc6C)c5-c5ccccc5C)ccc5ccc2c3c54)c1-c1ccccc1C
InChIInChI=1S/C68H50F2N2/c1-43-19-11-15-27-51(43)55-37-39-59(69)67(65(55)53-29-17-13-21-45(53)3)71(49-23-7-5-8-24-49)61-41-33-47-32-36-58-62(42-34-48-31-35-57(61)63(47)64(48)58)72(50-25-9-6-10-26-50)68-60(70)40-38-56(52-28-16-12-20-44(52)2)66(68)54-30-18-14-22-46(54)4/h5-42H,1-4H3
InChIKeyHFFXVDDAOLLTML-UHFFFAOYSA-N
MW933.16 g/mol
LogP19.70
Rot. Bonds10

About 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine

1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 59358005) has the molecular formula C68H50F2N2 and a molecular weight of 933.16 g/mol. Its IUPAC name is 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
PubChem CID59358005
Molecular FormulaC68H50F2N2
Molecular Weight933.16 g/mol
Exact Mass932.39
IUPAC Name1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1ccccc1-c1ccc(F)c(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5c(F)ccc(-c6ccccc6C)c5-c5ccccc5C)ccc5ccc2c3c54)c1-c1ccccc1C
InChIInChI=1S/C68H50F2N2/c1-43-19-11-15-27-51(43)55-37-39-59(69)67(65(55)53-29-17-13-21-45(53)3)71(49-23-7-5-8-24-49)61-41-33-47-32-36-58-62(42-34-48-31-35-57(61)63(47)64(48)58)72(50-25-9-6-10-26-50)68-60(70)40-38-56(52-28-16-12-20-44(52)2)66(68)54-30-18-14-22-46(54)4/h5-42H,1-4H3
InChIKeyHFFXVDDAOLLTML-UHFFFAOYSA-N
XLogP19.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.16
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,6-N-bis[2,3-bis(2,4-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357972
1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-fluoro-2,3-diphenylphenyl)-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 159022545
1-N,6-N-bis[2-fluoro-3,6-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357660
1-N,6-N-bis[2,3-bis(3,5-dimethylphenyl)-6-fluorophenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357816
1-N,6-N-bis[2-fluoro-4,5-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357869
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-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062572
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[3,4-bis(2,3-dimethylphenyl)-2-fluorophenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59358019
1-N,8-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,8-N-diphenylpyrene-1,8-diamine
CID 129062966
1-N,6-N-bis[2-fluoro-3,6-bis(4-phenylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357746
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine (CID 59358005) is 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1ccccc1-c1ccc(F)c(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5c(F)ccc(-c6ccccc6C)c5-c5ccccc5C)ccc5ccc2c3c54)c1-c1ccccc1C.
What is the InChIKey of 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?
The InChIKey is HFFXVDDAOLLTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50F2N2/c1-43-19-11-15-27-51(43)55-37-39-59(69)67(65(55)53-29-17-13-21-45(53)3)71(49-23-7-5-8-24-49)61-41-33-47-32-36-58-62(42-34-48-31-35-57(61)63(47)64(48)58)72(50-25-9-6-10-26-50)68-60(70)40-38-56(52-28-16-12-20-44(52)2)66(68)54-30-18-14-22-46(54)4/h5-42H,1-4H3.
What are the key properties of 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine?
1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 933.16 g/mol, XLogP of 19.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis[6-fluoro-2,3-bis(2-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 59358005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).