N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine

C63H41NO2 — CID 169022127

IUPACN-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H41NO2/c1-62(52-29-13-8-23-44(52)45-24-9-14-30-53(45)62)56-39-43(37-51-49-27-12-17-34-59(49)65-60(51)56)64(57-32-18-28-50-48-26-11-16-33-58(48)66-61(50)57)42-35-36-47-46-25-10-15-31-54(46)63(55(47)38-42,40-19-4-2-5-20-40)41-21-6-3-7-22-41/h2-39H,1H3
InChIKeyXEMLEPDIKJJNLW-UHFFFAOYSA-N
MW844.03 g/mol
LogP16.65
Rot. Bonds6

About N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine

N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine (PubChem CID 169022127) has the molecular formula C63H41NO2 and a molecular weight of 844.03 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
PubChem CID169022127
Molecular FormulaC63H41NO2
Molecular Weight844.03 g/mol
Exact Mass843.31
IUPAC NameN-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H41NO2/c1-62(52-29-13-8-23-44(52)45-24-9-14-30-53(45)62)56-39-43(37-51-49-27-12-17-34-59(49)65-60(51)56)64(57-32-18-28-50-48-26-11-16-33-58(48)66-61(50)57)42-35-36-47-46-25-10-15-31-54(46)63(55(47)38-42,40-19-4-2-5-20-40)41-21-6-3-7-22-41/h2-39H,1H3
InChIKeyXEMLEPDIKJJNLW-UHFFFAOYSA-N
XLogP16.65
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.03
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022095
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022341
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160965633
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine (CID 169022127) is N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine is CC1(c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine?
The InChIKey is XEMLEPDIKJJNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO2/c1-62(52-29-13-8-23-44(52)45-24-9-14-30-53(45)62)56-39-43(37-51-49-27-12-17-34-59(49)65-60(51)56)64(57-32-18-28-50-48-26-11-16-33-58(48)66-61(50)57)42-35-36-47-46-25-10-15-31-54(46)63(55(47)38-42,40-19-4-2-5-20-40)41-21-6-3-7-22-41/h2-39H,1H3.
What are the key properties of N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine?
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine has a molecular weight of 844.03 g/mol, XLogP of 16.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine is sourced from PubChem (CID 169022127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).