N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline

C31H29F2N — CID 90264056

IUPACN-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(F)c(N(c4ccccc4F)C(C)(C)C)c3)cc21
InChIInChI=1S/C31H29F2N/c1-30(2,3)34(28-13-9-8-12-26(28)32)29-19-21(15-17-27(29)33)20-14-16-23-22-10-6-7-11-24(22)31(4,5)25(23)18-20/h6-19H,1-5H3
InChIKeyKSIRWRKWDYCNIK-UHFFFAOYSA-N
MW453.58 g/mol
LogP8.87
Rot. Bonds3

About N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline

N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline (PubChem CID 90264056) has the molecular formula C31H29F2N and a molecular weight of 453.58 g/mol. Its IUPAC name is N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
PubChem CID90264056
Molecular FormulaC31H29F2N
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC NameN-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(F)c(N(c4ccccc4F)C(C)(C)C)c3)cc21
InChIInChI=1S/C31H29F2N/c1-30(2,3)34(28-13-9-8-12-26(28)32)29-19-21(15-17-27(29)33)20-14-16-23-22-10-6-7-11-24(22)31(4,5)25(23)18-20/h6-19H,1-5H3
InChIKeyKSIRWRKWDYCNIK-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-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
CID 90264048
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
CID 90266642
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline
CID 90263970

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline?
The IUPAC name of N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline (CID 90264056) is N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline.
What is the SMILES notation for N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline?
The canonical SMILES for N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(F)c(N(c4ccccc4F)C(C)(C)C)c3)cc21.
What is the InChIKey of N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline?
The InChIKey is KSIRWRKWDYCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N/c1-30(2,3)34(28-13-9-8-12-26(28)32)29-19-21(15-17-27(29)33)20-14-16-23-22-10-6-7-11-24(22)31(4,5)25(23)18-20/h6-19H,1-5H3.
What are the key properties of N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline?
N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-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-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline is sourced from PubChem (CID 90264056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).