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

C70H48N2O2 — CID 147414987

IUPAC3-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
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5oc6ccccc6c45)c3)c3ccc4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C70H48N2O2/c1-69(2)55-31-13-9-28-51(55)66-57(69)33-18-35-59(66)71(49-41-42-64-54(44-49)50-27-11-15-38-62(50)73-64)47-25-17-26-48(43-47)72(61-37-20-40-65-68(61)53-30-12-16-39-63(53)74-65)60-36-19-34-58-67(60)52-29-10-14-32-56(52)70(58,45-21-5-3-6-22-45)46-23-7-4-8-24-46/h3-44H,1-2H3
InChIKeyDRISBNYCRMJZSG-UHFFFAOYSA-N
MW949.17 g/mol
LogP19.09
Rot. Bonds8

About 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

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 (PubChem CID 147414987) has the molecular formula C70H48N2O2 and a molecular weight of 949.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID147414987
Molecular FormulaC70H48N2O2
Molecular Weight949.17 g/mol
Exact Mass948.37
IUPAC Name3-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
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5oc6ccccc6c45)c3)c3ccc4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C70H48N2O2/c1-69(2)55-31-13-9-28-51(55)66-57(69)33-18-35-59(66)71(49-41-42-64-54(44-49)50-27-11-15-38-62(50)73-64)47-25-17-26-48(43-47)72(61-37-20-40-65-68(61)53-30-12-16-39-63(53)74-65)60-36-19-34-58-67(60)52-29-10-14-32-56(52)70(58,45-21-5-3-6-22-45)46-23-7-4-8-24-46/h3-44H,1-2H3
InChIKeyDRISBNYCRMJZSG-UHFFFAOYSA-N
XLogP19.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.17
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029
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
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
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
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
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-(9,9-dimethylfluoren-2-yl)-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 130263964
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193270
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(N(c3cccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5oc6ccccc6c45)c3)c3ccc4oc5ccccc5c4c3)cccc21.
What is the InChIKey of 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?
The InChIKey is DRISBNYCRMJZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O2/c1-69(2)55-31-13-9-28-51(55)66-57(69)33-18-35-59(66)71(49-41-42-64-54(44-49)50-27-11-15-38-62(50)73-64)47-25-17-26-48(43-47)72(61-37-20-40-65-68(61)53-30-12-16-39-63(53)74-65)60-36-19-34-58-67(60)52-29-10-14-32-56(52)70(58,45-21-5-3-6-22-45)46-23-7-4-8-24-46/h3-44H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 949.17 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147414987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).