N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline

C31H29F2N — CID 90264048

IUPACN-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(F)c3N(c3ccccc3F)C(C)(C)C)ccc21
InChIInChI=1S/C31H29F2N/c1-30(2,3)34(28-16-9-8-14-26(28)32)29-21(12-10-15-27(29)33)20-17-18-25-23(19-20)22-11-6-7-13-24(22)31(25,4)5/h6-19H,1-5H3
InChIKeyVJTBNBCJNLQHDC-UHFFFAOYSA-N
MW453.58 g/mol
LogP8.87
Rot. Bonds3

About N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline

N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline (PubChem CID 90264048) has the molecular formula C31H29F2N and a molecular weight of 453.58 g/mol. Its IUPAC name is N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
PubChem CID90264048
Molecular FormulaC31H29F2N
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC NameN-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(F)c3N(c3ccccc3F)C(C)(C)C)ccc21
InChIInChI=1S/C31H29F2N/c1-30(2,3)34(28-16-9-8-14-26(28)32)29-21(12-10-15-27(29)33)20-17-18-25-23(19-20)22-11-6-7-13-24(22)31(25,4)5/h6-19H,1-5H3
InChIKeyVJTBNBCJNLQHDC-UHFFFAOYSA-N
XLogP8.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
CID 90264056
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-6-phenyl-4-(4-phenylphenyl)aniline
CID 90263984
3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
CID 90264154
N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 156627635
4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
CID 90266718
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
CID 142515722
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
CID 90266642
3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
CID 90264105
N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90264016
3-fluoro-9,9-dimethylfluorene
CID 130217991

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline?
The IUPAC name of N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline (CID 90264048) is N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline.
What is the SMILES notation for N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline?
The canonical SMILES for N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(F)c3N(c3ccccc3F)C(C)(C)C)ccc21.
What is the InChIKey of N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline?
The InChIKey is VJTBNBCJNLQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N/c1-30(2,3)34(28-16-9-8-14-26(28)32)29-21(12-10-15-27(29)33)20-17-18-25-23(19-20)22-11-6-7-13-24(22)31(25,4)5/h6-19H,1-5H3.
What are the key properties of N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline?
N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline has a molecular weight of 453.58 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline is sourced from PubChem (CID 90264048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).