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

C60H47N — CID 170142050

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C60H47N/c1-59(2)52-27-12-8-23-47(52)51-39-44(36-37-54(51)59)43-20-16-21-45(38-43)61(56-30-14-10-22-46(56)42-34-32-41(33-35-42)40-18-6-5-7-19-40)57-31-15-11-24-48(57)49-26-17-29-55-58(49)50-25-9-13-28-53(50)60(55,3)4/h5-39H,1-4H3
InChIKeyAJFOWYMDRPJNRW-UHFFFAOYSA-N
MW782.04 g/mol
LogP16.44
Rot. Bonds7

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

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 170142050) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
PubChem CID170142050
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C60H47N/c1-59(2)52-27-12-8-23-47(52)51-39-44(36-37-54(51)59)43-20-16-21-45(38-43)61(56-30-14-10-22-46(56)42-34-32-41(33-35-42)40-18-6-5-7-19-40)57-31-15-11-24-48(57)49-26-17-29-55-58(49)50-25-9-13-28-53(50)60(55,3)4/h5-39H,1-4H3
InChIKeyAJFOWYMDRPJNRW-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170143598
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170143527
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142520
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170136504
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143107
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170143670

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline (CID 170142050) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is AJFOWYMDRPJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)52-27-12-8-23-47(52)51-39-44(36-37-54(51)59)43-20-16-21-45(38-43)61(56-30-14-10-22-46(56)42-34-32-41(33-35-42)40-18-6-5-7-19-40)57-31-15-11-24-48(57)49-26-17-29-55-58(49)50-25-9-13-28-53(50)60(55,3)4/h5-39H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline has a molecular weight of 782.04 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 170142050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).