1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine

C38H36Br2F2N2 — CID 59800413

IUPAC1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine
SMILESCCCCc1ccc(N(c2ccc(Br)cc2)c2cc(F)c(N(c3ccc(Br)cc3)c3ccc(CCCC)cc3)cc2F)cc1
InChIInChI=1S/C38H36Br2F2N2/c1-3-5-7-27-9-17-31(18-10-27)43(33-21-13-29(39)14-22-33)37-25-36(42)38(26-35(37)41)44(34-23-15-30(40)16-24-34)32-19-11-28(12-20-32)8-6-4-2/h9-26H,3-8H2,1-2H3
InChIKeyVTISJSIWHHDKER-UHFFFAOYSA-N
MW718.52 g/mol
LogP13.11
Rot. Bonds12

About 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine (PubChem CID 59800413) has the molecular formula C38H36Br2F2N2 and a molecular weight of 718.52 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine
PubChem CID59800413
Molecular FormulaC38H36Br2F2N2
Molecular Weight718.52 g/mol
Exact Mass716.12
IUPAC Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine
SMILESCCCCc1ccc(N(c2ccc(Br)cc2)c2cc(F)c(N(c3ccc(Br)cc3)c3ccc(CCCC)cc3)cc2F)cc1
InChIInChI=1S/C38H36Br2F2N2/c1-3-5-7-27-9-17-31(18-10-27)43(33-21-13-29(39)14-22-33)37-25-36(42)38(26-35(37)41)44(34-23-15-30(40)16-24-34)32-19-11-28(12-20-32)8-6-4-2/h9-26H,3-8H2,1-2H3
InChIKeyVTISJSIWHHDKER-UHFFFAOYSA-N
XLogP13.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.52
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline
CID 141426227
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1-N,1-N,3-N,3-N-tetrakis(4-butylphenyl)-2-chlorobenzene-1,3-diamine
CID 139341417
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
CID 89078606
CID 89078606
N-[(4-bromo-2-fluorophenyl)methyl]-4-butylaniline
CID 43242983
N-(4-bromophenyl)-4-(6-methylheptyl)-N-[4-(6-methylheptyl)phenyl]aniline
CID 141463678
2-(5-bromo-2-phenylphenyl)-N,N-bis(4-hexylphenyl)aniline
CID 141426223
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine (CID 59800413) is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine is CCCCc1ccc(N(c2ccc(Br)cc2)c2cc(F)c(N(c3ccc(Br)cc3)c3ccc(CCCC)cc3)cc2F)cc1.
What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine?
The InChIKey is VTISJSIWHHDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36Br2F2N2/c1-3-5-7-27-9-17-31(18-10-27)43(33-21-13-29(39)14-22-33)37-25-36(42)38(26-35(37)41)44(34-23-15-30(40)16-24-34)32-19-11-28(12-20-32)8-6-4-2/h9-26H,3-8H2,1-2H3.
What are the key properties of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine?
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine has a molecular weight of 718.52 g/mol, XLogP of 13.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine is sourced from PubChem (CID 59800413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).