1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine

C74H50N2O — CID 155096765

IUPAC1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C74H50N2O/c1-5-26-51(27-6-1)73(52-28-7-2-8-29-52)63-42-19-15-38-59(63)71-64(73)43-24-46-67(71)76(56-35-23-32-54(50-56)74(53-30-9-3-10-31-53)61-40-17-13-36-57(61)58-37-14-18-41-62(58)74)66-45-21-20-44-65(66)75(55-33-11-4-12-34-55)68-47-25-49-70-72(68)60-39-16-22-48-69(60)77-70/h1-50H
InChIKeyDWOFGFGHPRELHG-UHFFFAOYSA-N
MW983.23 g/mol
LogP19.25
Rot. Bonds10

About 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine

1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine (PubChem CID 155096765) has the molecular formula C74H50N2O and a molecular weight of 983.23 g/mol. Its IUPAC name is 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
PubChem CID155096765
Molecular FormulaC74H50N2O
Molecular Weight983.23 g/mol
Exact Mass982.39
IUPAC Name1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C74H50N2O/c1-5-26-51(27-6-1)73(52-28-7-2-8-29-52)63-42-19-15-38-59(63)71-64(73)43-24-46-67(71)76(56-35-23-32-54(50-56)74(53-30-9-3-10-31-53)61-40-17-13-36-57(61)58-37-14-18-41-62(58)74)66-45-21-20-44-65(66)75(55-33-11-4-12-34-55)68-47-25-49-70-72(68)60-39-16-22-48-69(60)77-70/h1-50H
InChIKeyDWOFGFGHPRELHG-UHFFFAOYSA-N
XLogP19.25
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.23
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170666333
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 147414987
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 177287521
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine (CID 155096765) is 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine is c1ccc(N(c2ccccc2N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine?
The InChIKey is DWOFGFGHPRELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2O/c1-5-26-51(27-6-1)73(52-28-7-2-8-29-52)63-42-19-15-38-59(63)71-64(73)43-24-46-67(71)76(56-35-23-32-54(50-56)74(53-30-9-3-10-31-53)61-40-17-13-36-57(61)58-37-14-18-41-62(58)74)66-45-21-20-44-65(66)75(55-33-11-4-12-34-55)68-47-25-49-70-72(68)60-39-16-22-48-69(60)77-70/h1-50H.
What are the key properties of 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine?
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine has a molecular weight of 983.23 g/mol, XLogP of 19.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 155096765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).