5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline

C61H49NO — CID 167484522

IUPAC5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2ccc(-c3cccc4oc5ccccc5c34)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)c2)cc1
InChIInChI=1S/C61H49NO/c1-60(2,3)45-32-25-42(26-33-45)44-31-38-49(50-20-14-24-57-59(50)52-18-10-12-23-56(52)63-57)55(39-44)62(46-34-27-41(28-35-46)40-15-7-6-8-16-40)47-36-29-43(30-37-47)48-19-13-22-54-58(48)51-17-9-11-21-53(51)61(54,4)5/h6-39H,1-5H3
InChIKeyQXQRAKRZCRBXEK-UHFFFAOYSA-N
MW812.07 g/mol
LogP17.33
Rot. Bonds7

About 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline

5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167484522) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167484522
Molecular FormulaC61H49NO
Molecular Weight812.07 g/mol
Exact Mass811.38
IUPAC Name5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2ccc(-c3cccc4oc5ccccc5c34)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)c2)cc1
InChIInChI=1S/C61H49NO/c1-60(2,3)45-32-25-42(26-33-45)44-31-38-49(50-20-14-24-57-59(50)52-18-10-12-23-56(52)63-57)55(39-44)62(46-34-27-41(28-35-46)40-15-7-6-8-16-40)47-36-29-43(30-37-47)48-19-13-22-54-58(48)51-17-9-11-21-53(51)61(54,4)5/h6-39H,1-5H3
InChIKeyQXQRAKRZCRBXEK-UHFFFAOYSA-N
XLogP17.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
CID 170722738
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 168840146
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
2'-tert-butyl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 167056821
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 167484522) is 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline is CC(C)(C)c1ccc(-c2ccc(-c3cccc4oc5ccccc5c34)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)c2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is QXQRAKRZCRBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-60(2,3)45-32-25-42(26-33-45)44-31-38-49(50-20-14-24-57-59(50)52-18-10-12-23-56(52)63-57)55(39-44)62(46-34-27-41(28-35-46)40-15-7-6-8-16-40)47-36-29-43(30-37-47)48-19-13-22-54-58(48)51-17-9-11-21-53(51)61(54,4)5/h6-39H,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 812.07 g/mol, XLogP of 17.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167484522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).