N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline

C60H45NO — CID 170143107

IUPACN-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C60H45NO/c1-59(2)50-25-10-5-20-43(50)48-37-40(31-33-52(48)59)42-19-7-12-28-54(42)61(41-18-15-17-38(35-41)39-32-34-57-49(36-39)45-22-9-14-30-56(45)62-57)55-29-13-8-21-44(55)46-24-16-27-53-58(46)47-23-6-11-26-51(47)60(53,3)4/h5-37H,1-4H3
InChIKeyAMYDAAMRKPCPDQ-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.67
Rot. Bonds6

About N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline

N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline (PubChem CID 170143107) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
PubChem CID170143107
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C60H45NO/c1-59(2)50-25-10-5-20-43(50)48-37-40(31-33-52(48)59)42-19-7-12-28-54(42)61(41-18-15-17-38(35-41)39-32-34-57-49(36-39)45-22-9-14-30-56(45)62-57)55-29-13-8-21-44(55)46-24-16-27-53-58(46)47-23-6-11-26-51(47)60(53,3)4/h5-37H,1-4H3
InChIKeyAMYDAAMRKPCPDQ-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)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168839779
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline (CID 170143107) is N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The InChIKey is AMYDAAMRKPCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)50-25-10-5-20-43(50)48-37-40(31-33-52(48)59)42-19-7-12-28-54(42)61(41-18-15-17-38(35-41)39-32-34-57-49(36-39)45-22-9-14-30-56(45)62-57)55-29-13-8-21-44(55)46-24-16-27-53-58(46)47-23-6-11-26-51(47)60(53,3)4/h5-37H,1-4H3.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-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 N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170143107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).