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

C51H37NO — CID 170139869

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)43-28-11-6-24-42(43)49-39(25-17-29-44(49)51)36-21-8-13-31-46(36)52(45-30-12-7-20-35(45)34-18-4-3-5-19-34)47-32-14-9-22-37(47)40-26-16-27-41-38-23-10-15-33-48(38)53-50(40)41/h3-33H,1-2H3
InChIKeyVLGBKSSFUKMLON-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

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

N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (PubChem CID 170139869) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
PubChem CID170139869
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)43-28-11-6-24-42(43)49-39(25-17-29-44(49)51)36-21-8-13-31-46(36)52(45-30-12-7-20-35(45)34-18-4-3-5-19-34)47-32-14-9-22-37(47)40-26-16-27-41-38-23-10-15-33-48(38)53-50(40)41/h3-33H,1-2H3
InChIKeyVLGBKSSFUKMLON-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline;2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 157436588
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130379490
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544770
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (CID 170139869) is N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The InChIKey is VLGBKSSFUKMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)43-28-11-6-24-42(43)49-39(25-17-29-44(49)51)36-21-8-13-31-46(36)52(45-30-12-7-20-35(45)34-18-4-3-5-19-34)47-32-14-9-22-37(47)40-26-16-27-41-38-23-10-15-33-48(38)53-50(40)41/h3-33H,1-2H3.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 170139869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).