N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine

C36H31N — CID 166659129

IUPACN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C36H31N/c1-35(2)31-14-7-5-12-27(31)29-21-24(16-18-33(29)35)23-10-9-11-25(20-23)37-26-17-19-34-30(22-26)28-13-6-8-15-32(28)36(34,3)4/h5-22,37H,1-4H3
InChIKeyFGIJLXQRYXUTBS-UHFFFAOYSA-N
MW477.65 g/mol
LogP9.71
Rot. Bonds3

About N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 166659129) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID166659129
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C36H31N/c1-35(2)31-14-7-5-12-27(31)29-21-24(16-18-33(29)35)23-10-9-11-25(20-23)37-26-17-19-34-30(22-26)28-13-6-8-15-32(28)36(34,3)4/h5-22,37H,1-4H3
InChIKeyFGIJLXQRYXUTBS-UHFFFAOYSA-N
XLogP9.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine (CID 166659129) is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(Nc3cccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)c3)ccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is FGIJLXQRYXUTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-35(2)31-14-7-5-12-27(31)29-21-24(16-18-33(29)35)23-10-9-11-25(20-23)37-26-17-19-34-30(22-26)28-13-6-8-15-32(28)36(34,3)4/h5-22,37H,1-4H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 477.65 g/mol, XLogP of 9.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 166659129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).