2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine

C62H38F2N2O2 — CID 89254520

IUPAC2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
SMILESFc1ccccc1N(c1ccc2c(-c3ccccc3)c3cc(N(c4ccccc4F)c4cccc5c4oc4ccccc45)ccc3c(-c3ccccc3)c2c1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C62H38F2N2O2/c63-51-25-9-11-27-53(51)65(55-29-15-23-47-43-21-7-13-31-57(43)67-61(47)55)41-34-36-46-49(37-41)59(39-17-3-1-4-18-39)45-35-33-42(38-50(45)60(46)40-19-5-2-6-20-40)66(54-28-12-10-26-52(54)64)56-30-16-24-48-44-22-8-14-32-58(44)68-62(48)56/h1-38H
InChIKeyFKVIOESMXLBNQL-UHFFFAOYSA-N
MW880.99 g/mol
LogP18.34
Rot. Bonds8

About 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine (PubChem CID 89254520) has the molecular formula C62H38F2N2O2 and a molecular weight of 880.99 g/mol. Its IUPAC name is 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
PubChem CID89254520
Molecular FormulaC62H38F2N2O2
Molecular Weight880.99 g/mol
Exact Mass880.29
IUPAC Name2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
SMILESFc1ccccc1N(c1ccc2c(-c3ccccc3)c3cc(N(c4ccccc4F)c4cccc5c4oc4ccccc45)ccc3c(-c3ccccc3)c2c1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C62H38F2N2O2/c63-51-25-9-11-27-53(51)65(55-29-15-23-47-43-21-7-13-31-57(43)67-61(47)55)41-34-36-46-49(37-41)59(39-17-3-1-4-18-39)45-35-33-42(38-50(45)60(46)40-19-5-2-6-20-40)66(54-28-12-10-26-52(54)64)56-30-16-24-48-44-22-8-14-32-58(44)68-62(48)56/h1-38H
InChIKeyFKVIOESMXLBNQL-UHFFFAOYSA-N
XLogP18.34
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.99
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
6-N,17-N-bis(2-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033553
6-N,17-N-di(dibenzofuran-4-yl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033482
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033534
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166031701
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
CID 166845761
6-N,16-N-bis(3-methyldibenzofuran-4-yl)-6-N,16-N-bis(2-methylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033167

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine (CID 89254520) is 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine is Fc1ccccc1N(c1ccc2c(-c3ccccc3)c3cc(N(c4ccccc4F)c4cccc5c4oc4ccccc45)ccc3c(-c3ccccc3)c2c1)c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine?
The InChIKey is FKVIOESMXLBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38F2N2O2/c63-51-25-9-11-27-53(51)65(55-29-15-23-47-43-21-7-13-31-57(43)67-61(47)55)41-34-36-46-49(37-41)59(39-17-3-1-4-18-39)45-35-33-42(38-50(45)60(46)40-19-5-2-6-20-40)66(54-28-12-10-26-52(54)64)56-30-16-24-48-44-22-8-14-32-58(44)68-62(48)56/h1-38H.
What are the key properties of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine?
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine has a molecular weight of 880.99 g/mol, XLogP of 18.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89254520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).