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

C60H45NO — CID 170143174

IUPAC2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C60H45NO/c1-59(2)50-29-12-6-24-47(50)57-44(25-18-30-51(57)59)41-21-8-14-32-53(41)61(52-31-13-7-19-39(52)38-35-36-56-48(37-38)43-23-10-16-34-55(43)62-56)54-33-15-9-22-42(54)46-27-17-26-45-40-20-5-11-28-49(40)60(3,4)58(45)46/h5-37H,1-4H3
InChIKeyGPFXEBNJJSCWDV-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.67
Rot. Bonds6

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

2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline (PubChem CID 170143174) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
PubChem CID170143174
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC Name2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C60H45NO/c1-59(2)50-29-12-6-24-47(50)57-44(25-18-30-51(57)59)41-21-8-14-32-53(41)61(52-31-13-7-19-39(52)38-35-36-56-48(37-38)43-23-10-16-34-55(43)62-56)54-33-15-9-22-42(54)46-27-17-26-45-40-20-5-11-28-49(40)60(3,4)58(45)46/h5-37H,1-4H3
InChIKeyGPFXEBNJJSCWDV-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143107
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
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-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139869
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline
CID 170216790
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline (CID 170143174) is 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The InChIKey is GPFXEBNJJSCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)50-29-12-6-24-47(50)57-44(25-18-30-51(57)59)41-21-8-14-32-53(41)61(52-31-13-7-19-39(52)38-35-36-56-48(37-38)43-23-10-16-34-55(43)62-56)54-33-15-9-22-42(54)46-27-17-26-45-40-20-5-11-28-49(40)60(3,4)58(45)46/h5-37H,1-4H3.
What are the key properties of 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline has a molecular weight of 796.03 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170143174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).