1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine

C64H38F2N2O2 — CID 161326103

IUPAC1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine
SMILESFc1ccc(N(c2cc(-c3ccccc3)c3ccc4c(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)cc(-c5ccccc5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C64H38F2N2O2/c65-41-25-29-43(30-26-41)67(55-21-11-19-49-45-17-7-9-23-59(45)69-63(49)55)57-37-53(39-13-3-1-4-14-39)47-33-35-52-58(38-54(40-15-5-2-6-16-40)48-34-36-51(57)61(47)62(48)52)68(44-31-27-42(66)28-32-44)56-22-12-20-50-46-18-8-10-24-60(46)70-64(50)56/h1-38H
InChIKeyHEFWAYRBAMNZJG-UHFFFAOYSA-N
MW905.02 g/mol
LogP18.93
Rot. Bonds8

About 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine

1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine (PubChem CID 161326103) has the molecular formula C64H38F2N2O2 and a molecular weight of 905.02 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine
PubChem CID161326103
Molecular FormulaC64H38F2N2O2
Molecular Weight905.02 g/mol
Exact Mass904.29
IUPAC Name1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine
SMILESFc1ccc(N(c2cc(-c3ccccc3)c3ccc4c(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)cc(-c5ccccc5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C64H38F2N2O2/c65-41-25-29-43(30-26-41)67(55-21-11-19-49-45-17-7-9-23-59(45)69-63(49)55)57-37-53(39-13-3-1-4-14-39)47-33-35-52-58(38-54(40-15-5-2-6-16-40)48-34-36-51(57)61(47)62(48)52)68(44-31-27-42(66)28-32-44)56-22-12-20-50-46-18-8-10-24-60(46)70-64(50)56/h1-38H
InChIKeyHEFWAYRBAMNZJG-UHFFFAOYSA-N
XLogP18.93
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.02
LogP ≤ 518.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-diphenylpyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 166788491
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methyl-3-phenylphenyl)-3,8-diphenylpyrene-1,6-diamine
CID 159400063
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methylnaphthalen-1-yl)-3,8-diphenylpyrene-1,6-diamine
CID 159400062
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine (CID 161326103) is 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine is Fc1ccc(N(c2cc(-c3ccccc3)c3ccc4c(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)cc(-c5ccccc5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine?
The InChIKey is HEFWAYRBAMNZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38F2N2O2/c65-41-25-29-43(30-26-41)67(55-21-11-19-49-45-17-7-9-23-59(45)69-63(49)55)57-37-53(39-13-3-1-4-14-39)47-33-35-52-58(38-54(40-15-5-2-6-16-40)48-34-36-51(57)61(47)62(48)52)68(44-31-27-42(66)28-32-44)56-22-12-20-50-46-18-8-10-24-60(46)70-64(50)56/h1-38H.
What are the key properties of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine?
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine has a molecular weight of 905.02 g/mol, XLogP of 18.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 161326103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).