3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine

C30H24F2N4 — CID 101426182

IUPAC3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
SMILESFc1c(Nc2ccccc2)c(Nc2ccccc2)c(F)c(Nc2ccccc2)c1Nc1ccccc1
InChIInChI=1S/C30H24F2N4/c31-25-27(33-21-13-5-1-6-14-21)28(34-22-15-7-2-8-16-22)26(32)30(36-24-19-11-4-12-20-24)29(25)35-23-17-9-3-10-18-23/h1-20,33-36H
InChIKeyLSLQQXOGLSJRJX-UHFFFAOYSA-N
MW478.55 g/mol
LogP8.94
Rot. Bonds8

About 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine

3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine (PubChem CID 101426182) has the molecular formula C30H24F2N4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine.

Molecular Properties

Compound Name3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
PubChem CID101426182
Molecular FormulaC30H24F2N4
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
SMILESFc1c(Nc2ccccc2)c(Nc2ccccc2)c(F)c(Nc2ccccc2)c1Nc1ccccc1
InChIInChI=1S/C30H24F2N4/c31-25-27(33-21-13-5-1-6-14-21)28(34-22-15-7-2-8-16-22)26(32)30(36-24-19-11-4-12-20-24)29(25)35-23-17-9-3-10-18-23/h1-20,33-36H
InChIKeyLSLQQXOGLSJRJX-UHFFFAOYSA-N
XLogP8.94
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 58.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dianilino-3,6-difluorophthalic acid
CID 139627144
2,6-difluoro-N-phenylaniline
CID 13387559
2,6-difluoro-1-N-phenylbenzene-1,4-diamine
CID 61017044
azane;N-phenylaniline
CID 67074378
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
hydrazine;N-phenylaniline
CID 159755629
4-anilino-3,6-difluoro-5-(4-methoxyanilino)benzene-1,2-dicarbonitrile
CID 139814018
2,5-dianilino-3,6-difluorocyclohexa-2,5-diene-1,4-dione
CID 122225607
3-fluoro-N-phenylaniline
CID 2774466
1,1-difluoroethene;N-phenylaniline
CID 175173437
N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide
CID 59386338
4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile
CID 139814017

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine?
The IUPAC name of 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine (CID 101426182) is 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine.
What is the SMILES notation for 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine?
The canonical SMILES for 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine is Fc1c(Nc2ccccc2)c(Nc2ccccc2)c(F)c(Nc2ccccc2)c1Nc1ccccc1.
What is the InChIKey of 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine?
The InChIKey is LSLQQXOGLSJRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4/c31-25-27(33-21-13-5-1-6-14-21)28(34-22-15-7-2-8-16-22)26(32)30(36-24-19-11-4-12-20-24)29(25)35-23-17-9-3-10-18-23/h1-20,33-36H.
What are the key properties of 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine?
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine has a molecular weight of 478.55 g/mol, XLogP of 8.94, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine is sourced from PubChem (CID 101426182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).