3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine

C80H52N2O2 — CID 155312532

IUPAC3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6oc7ccccc7c56)c4)c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C80H52N2O2/c1-5-23-53(24-6-1)79(54-25-7-2-8-26-54)70-38-18-14-34-63(70)68-50-59(45-48-71(68)79)81(61-44-47-66-65-35-15-19-40-74(65)84-77(66)52-61)57-31-21-32-58(49-57)82(73-39-22-42-76-78(73)67-36-16-20-41-75(67)83-76)60-43-46-64-62-33-13-17-37-69(62)80(72(64)51-60,55-27-9-3-10-28-55)56-29-11-4-12-30-56/h1-52H
InChIKeyVMMLQJUIYKZFKT-UHFFFAOYSA-N
MW1073.31 g/mol
LogP21.15
Rot. Bonds10

About 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine

3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine (PubChem CID 155312532) has the molecular formula C80H52N2O2 and a molecular weight of 1073.31 g/mol. Its IUPAC name is 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
PubChem CID155312532
Molecular FormulaC80H52N2O2
Molecular Weight1073.31 g/mol
Exact Mass1072.40
IUPAC Name3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6oc7ccccc7c56)c4)c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C80H52N2O2/c1-5-23-53(24-6-1)79(54-25-7-2-8-26-54)70-38-18-14-34-63(70)68-50-59(45-48-71(68)79)81(61-44-47-66-65-35-15-19-40-74(65)84-77(66)52-61)57-31-21-32-58(49-57)82(73-39-22-42-76-78(73)67-36-16-20-41-75(67)83-76)60-43-46-64-62-33-13-17-37-69(62)80(72(64)51-60,55-27-9-3-10-28-55)56-29-11-4-12-30-56/h1-52H
InChIKeyVMMLQJUIYKZFKT-UHFFFAOYSA-N
XLogP21.15
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.31
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine with MolForge

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Related Compounds

3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
1-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-2-yl)-3-N-naphtho[1,2-b][1]benzofuran-7-yl-3-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 148833125
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
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
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
3-N-dibenzofuran-2-yl-3-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157167545
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
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine (CID 155312532) is 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6oc7ccccc7c56)c4)c4ccc5c(c4)oc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine?
The InChIKey is VMMLQJUIYKZFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2O2/c1-5-23-53(24-6-1)79(54-25-7-2-8-26-54)70-38-18-14-34-63(70)68-50-59(45-48-71(68)79)81(61-44-47-66-65-35-15-19-40-74(65)84-77(66)52-61)57-31-21-32-58(49-57)82(73-39-22-42-76-78(73)67-36-16-20-41-75(67)83-76)60-43-46-64-62-33-13-17-37-69(62)80(72(64)51-60,55-27-9-3-10-28-55)56-29-11-4-12-30-56/h1-52H.
What are the key properties of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine?
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine has a molecular weight of 1073.31 g/mol, XLogP of 21.15, 10 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-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 155312532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).