2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

C67H47NO — CID 170665631

IUPAC2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3-c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C67H47NO/c1-67(2)61-31-13-11-25-54(61)57-29-16-30-58(66(57)67)56-28-17-32-62(65(56)48-36-41-64-60(42-48)55-26-12-14-33-63(55)69-64)68(49-37-34-47(35-38-49)52-27-15-23-45-22-9-10-24-51(45)52)50-39-40-53(44-18-5-3-6-19-44)59(43-50)46-20-7-4-8-21-46/h3-43H,1-2H3
InChIKeyXIUUDXKAATWVFP-UHFFFAOYSA-N
MW882.12 g/mol
LogP18.85
Rot. Bonds8

About 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170665631) has the molecular formula C67H47NO and a molecular weight of 882.12 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID170665631
Molecular FormulaC67H47NO
Molecular Weight882.12 g/mol
Exact Mass881.37
IUPAC Name2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3-c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C67H47NO/c1-67(2)61-31-13-11-25-54(61)57-29-16-30-58(66(57)67)56-28-17-32-62(65(56)48-36-41-64-60(42-48)55-26-12-14-33-63(55)69-64)68(49-37-34-47(35-38-49)52-27-15-23-45-22-9-10-24-51(45)52)50-39-40-53(44-18-5-3-6-19-44)59(43-50)46-20-7-4-8-21-46/h3-43H,1-2H3
InChIKeyXIUUDXKAATWVFP-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.12
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 177274472
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 121321626
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(2-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 157073762
N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 148507148

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 170665631) is 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3-c3ccc4oc5ccccc5c4c3)c21.
What is the InChIKey of 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is XIUUDXKAATWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47NO/c1-67(2)61-31-13-11-25-54(61)57-29-16-30-58(66(57)67)56-28-17-32-62(65(56)48-36-41-64-60(42-48)55-26-12-14-33-63(55)69-64)68(49-37-34-47(35-38-49)52-27-15-23-45-22-9-10-24-51(45)52)50-39-40-53(44-18-5-3-6-19-44)59(43-50)46-20-7-4-8-21-46/h3-43H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 882.12 g/mol, XLogP of 18.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170665631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).