N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline

C34H29F2N — CID 90263970

IUPACN-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline
SMILESCC(C)(C)N(c1ccccc1F)c1cc(-c2ccccc2)c(-c2cccc(-c3ccccc3)c2)cc1F
InChIInChI=1S/C34H29F2N/c1-34(2,3)37(32-20-11-10-19-30(32)35)33-23-29(25-15-8-5-9-16-25)28(22-31(33)36)27-18-12-17-26(21-27)24-13-6-4-7-14-24/h4-23H,1-3H3
InChIKeyDPXALQIFOAVSLV-UHFFFAOYSA-N
MW489.61 g/mol
LogP9.90
Rot. Bonds5

About N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline

N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline (PubChem CID 90263970) has the molecular formula C34H29F2N and a molecular weight of 489.61 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline
PubChem CID90263970
Molecular FormulaC34H29F2N
Molecular Weight489.61 g/mol
Exact Mass489.23
IUPAC NameN-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline
SMILESCC(C)(C)N(c1ccccc1F)c1cc(-c2ccccc2)c(-c2cccc(-c3ccccc3)c2)cc1F
InChIInChI=1S/C34H29F2N/c1-34(2,3)37(32-20-11-10-19-30(32)35)33-23-29(25-15-8-5-9-16-25)28(22-31(33)36)27-18-12-17-26(21-27)24-13-6-4-7-14-24/h4-23H,1-3H3
InChIKeyDPXALQIFOAVSLV-UHFFFAOYSA-N
XLogP9.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline
CID 90266492
N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-6-phenyl-4-(4-phenylphenyl)aniline
CID 90263984
N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-3,4-diphenylaniline;bis(N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-3,5-diphenylaniline);N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-3,6-diphenylaniline;N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-4,5-diphenylaniline;N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-4,6-diphenylaniline
CID 160725250
N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90264016
N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
CID 90264056
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 177100139
N-tert-butyl-N,2,4-triphenylaniline
CID 164781351
N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
CID 90264048
2-fluoro-N-(2-fluorophenyl)-N-methyl-5-phenylaniline
CID 90266693
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266570
bis(1,3-diphenylbenzene);ethane
CID 144938975

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline?
The IUPAC name of N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline (CID 90263970) is N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline is CC(C)(C)N(c1ccccc1F)c1cc(-c2ccccc2)c(-c2cccc(-c3ccccc3)c2)cc1F.
What is the InChIKey of N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline?
The InChIKey is DPXALQIFOAVSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F2N/c1-34(2,3)37(32-20-11-10-19-30(32)35)33-23-29(25-15-8-5-9-16-25)28(22-31(33)36)27-18-12-17-26(21-27)24-13-6-4-7-14-24/h4-23H,1-3H3.
What are the key properties of N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline?
N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline has a molecular weight of 489.61 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 90263970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).