N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

C57H41NO — CID 168790978

IUPACN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C57H41NO/c1-57(2)50-33-13-11-26-45(50)48-31-16-30-44(55(48)57)40-23-15-24-41(37-40)58(52-35-18-32-49-46-27-12-14-36-53(46)59-56(49)52)51-34-17-29-43(39-21-7-4-8-22-39)54(51)47-28-10-9-25-42(47)38-19-5-3-6-20-38/h3-37H,1-2H3
InChIKeyFBSBDQOCCOMVIP-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

About N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 168790978) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID168790978
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C57H41NO/c1-57(2)50-33-13-11-26-45(50)48-31-16-30-44(55(48)57)40-23-15-24-41(37-40)58(52-35-18-32-49-46-27-12-14-36-53(46)59-56(49)52)51-34-17-29-43(39-21-7-4-8-22-39)54(51)47-28-10-9-25-42(47)38-19-5-3-6-20-38/h3-37H,1-2H3
InChIKeyFBSBDQOCCOMVIP-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167285621
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167177472
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170114508
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 168790978) is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c3)c21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is FBSBDQOCCOMVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)50-33-13-11-26-45(50)48-31-16-30-44(55(48)57)40-23-15-24-41(37-40)58(52-35-18-32-49-46-27-12-14-36-53(46)59-56(49)52)51-34-17-29-43(39-21-7-4-8-22-39)54(51)47-28-10-9-25-42(47)38-19-5-3-6-20-38/h3-37H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 755.96 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 168790978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).