4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline

C66H49NO — CID 67964226

IUPAC4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C66H49NO/c1-65(2)59-14-8-5-11-53(59)55-36-27-48(40-61(55)65)45-23-32-51(33-24-45)67(52-34-25-46(26-35-52)49-28-37-56-54-12-6-9-15-60(54)66(3,4)62(56)41-49)50-30-21-43(22-31-50)42-17-19-44(20-18-42)47-29-38-64-58(39-47)57-13-7-10-16-63(57)68-64/h5-41H,1-4H3
InChIKeyLXFSNYIVRZGGJK-UHFFFAOYSA-N
MW872.12 g/mol
LogP18.34
Rot. Bonds7

About 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline

4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline (PubChem CID 67964226) has the molecular formula C66H49NO and a molecular weight of 872.12 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
PubChem CID67964226
Molecular FormulaC66H49NO
Molecular Weight872.12 g/mol
Exact Mass871.38
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C66H49NO/c1-65(2)59-14-8-5-11-53(59)55-36-27-48(40-61(55)65)45-23-32-51(33-24-45)67(52-34-25-46(26-35-52)49-28-37-56-54-12-6-9-15-60(54)66(3,4)62(56)41-49)50-30-21-43(22-31-50)42-17-19-44(20-18-42)47-29-38-64-58(39-47)57-13-7-10-16-63(57)68-64/h5-41H,1-4H3
InChIKeyLXFSNYIVRZGGJK-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.12
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]fluoren-2-amine
CID 67964272
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline (CID 67964226) is 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline?
The InChIKey is LXFSNYIVRZGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49NO/c1-65(2)59-14-8-5-11-53(59)55-36-27-48(40-61(55)65)45-23-32-51(33-24-45)67(52-34-25-46(26-35-52)49-28-37-56-54-12-6-9-15-60(54)66(3,4)62(56)41-49)50-30-21-43(22-31-50)42-17-19-44(20-18-42)47-29-38-64-58(39-47)57-13-7-10-16-63(57)68-64/h5-41H,1-4H3.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline?
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline has a molecular weight of 872.12 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline is sourced from PubChem (CID 67964226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).