3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C35H33FN2 — CID 143296048

IUPAC3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESCC(C)(C)C(F)c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C35H33FN2/c1-35(2,3)34(36)27-22-24-31(25-23-27)38(30-18-11-6-12-19-30)33-21-13-20-32(26-33)37(28-14-7-4-8-15-28)29-16-9-5-10-17-29/h4-26,34H,1-3H3
InChIKeySGZBUNYHTOVTBW-UHFFFAOYSA-N
MW500.66 g/mol
LogP10.68
Rot. Bonds7

About 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 143296048) has the molecular formula C35H33FN2 and a molecular weight of 500.66 g/mol. Its IUPAC name is 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID143296048
Molecular FormulaC35H33FN2
Molecular Weight500.66 g/mol
Exact Mass500.26
IUPAC Name3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESCC(C)(C)C(F)c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C35H33FN2/c1-35(2,3)34(36)27-22-24-31(25-23-27)38(30-18-11-6-12-19-30)33-21-13-20-32(26-33)37(28-14-7-4-8-15-28)29-16-9-5-10-17-29/h4-26,34H,1-3H3
InChIKeySGZBUNYHTOVTBW-UHFFFAOYSA-N
XLogP10.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine with MolForge

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356
5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine
CID 168843333
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-[2-methyl-2-(N-phenylanilino)propyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 167208859
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 143296048) is 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is CC(C)(C)C(F)c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is SGZBUNYHTOVTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN2/c1-35(2,3)34(36)27-22-24-31(25-23-27)38(30-18-11-6-12-19-30)33-21-13-20-32(26-33)37(28-14-7-4-8-15-28)29-16-9-5-10-17-29/h4-26,34H,1-3H3.
What are the key properties of 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 500.66 g/mol, XLogP of 10.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 143296048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).