N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide

C27H28Br2Cl2N4 — CID 13408571

IUPACN-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.Clc1ccc(N=c2ccn(CCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H26Cl2N4.2BrH/c28-22-4-8-24(9-5-22)30-26-12-18-32(19-13-26)16-2-1-3-17-33-20-14-27(15-21-33)31-25-10-6-23(29)7-11-25;;/h4-15,18-21H,1-3,16-17H2;2*1H
InChIKeySFFTXDKTOGVBDB-UHFFFAOYSA-N
MW639.26 g/mol
LogP8.09
Rot. Bonds8

About N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide

N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide (PubChem CID 13408571) has the molecular formula C27H28Br2Cl2N4 and a molecular weight of 639.26 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide
PubChem CID13408571
Molecular FormulaC27H28Br2Cl2N4
Molecular Weight639.26 g/mol
Exact Mass636.01
IUPAC NameN-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.Clc1ccc(N=c2ccn(CCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H26Cl2N4.2BrH/c28-22-4-8-24(9-5-22)30-26-12-18-32(19-13-26)16-2-1-3-17-33-20-14-27(15-21-33)31-25-10-6-23(29)7-11-25;;/h4-15,18-21H,1-3,16-17H2;2*1H
InChIKeySFFTXDKTOGVBDB-UHFFFAOYSA-N
XLogP8.09
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.26
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide?
The IUPAC name of N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide (CID 13408571) is N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide?
The canonical SMILES for N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide is Br.Br.Clc1ccc(N=c2ccn(CCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide?
The InChIKey is SFFTXDKTOGVBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4.2BrH/c28-22-4-8-24(9-5-22)30-26-12-18-32(19-13-26)16-2-1-3-17-33-20-14-27(15-21-33)31-25-10-6-23(29)7-11-25;;/h4-15,18-21H,1-3,16-17H2;2*1H.
What are the key properties of N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide?
N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide has a molecular weight of 639.26 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[5-[4-(4-chlorophenyl)imino-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide is sourced from PubChem (CID 13408571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).