6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine

C26H16Cl2N2 — CID 13302472

IUPAC6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine
SMILESClc1ccc(/C2=N/c3ccccc3/C(c3ccc(Cl)cc3)=N\c3ccccc32)cc1
InChIInChI=1S/C26H16Cl2N2/c27-19-13-9-17(10-14-19)25-21-5-1-3-7-23(21)29-26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30-25/h1-16H/b25-21-,26-22-,29-23-,29-26-,30-24-,30-25-
InChIKeyCERNYAMKSNGAMW-GABJPYRJSA-N
MW427.33 g/mol
LogP7.64
Rot. Bonds2

About 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine

6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine (PubChem CID 13302472) has the molecular formula C26H16Cl2N2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine
PubChem CID13302472
Molecular FormulaC26H16Cl2N2
Molecular Weight427.33 g/mol
Exact Mass426.07
IUPAC Name6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine
SMILESClc1ccc(/C2=N/c3ccccc3/C(c3ccc(Cl)cc3)=N\c3ccccc32)cc1
InChIInChI=1S/C26H16Cl2N2/c27-19-13-9-17(10-14-19)25-21-5-1-3-7-23(21)29-26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30-25/h1-16H/b25-21-,26-22-,29-23-,29-26-,30-24-,30-25-
InChIKeyCERNYAMKSNGAMW-GABJPYRJSA-N
XLogP7.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Bis(4-chlorobenzylidene)-1,4-phenylenediamine
CID 328193
2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocine
CID 19276
6,12-Diphenyldibenzo[b,f][1,5]diazocine
CID 296709
N,N'-Bis(4-chlorobenzylidene)benzidine
CID 634695
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
N,N'-Bis((4-chlorophenyl)methylene)-6,12-diphenyldibenzo(b,f)(1,5)diazocine-2,8-diamine
CID 3076114
2,8-Dichloro-6,12-bis(2-chlorophenyl)benzo[c][1,5]benzodiazocine
CID 1898171
1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 11305634
2,2-Bis(4-chlorophenyl)-N-(4-methylphenyl)ethen-1-imine
CID 305515
Benzenamine, N-[1-(4-chlorophenyl)ethylidene]-
CID 641180
6,12-Bis(4-methylphenyl)benzo[c][1,5]benzodiazocine
CID 13302471
1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-(2-phenylethyl)ethane-1,2-diimine
CID 72192483

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine?
The IUPAC name of 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine (CID 13302472) is 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine.
What is the SMILES notation for 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine?
The canonical SMILES for 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine is Clc1ccc(/C2=N/c3ccccc3/C(c3ccc(Cl)cc3)=N\c3ccccc32)cc1.
What is the InChIKey of 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine?
The InChIKey is CERNYAMKSNGAMW-GABJPYRJSA-N. The full InChI is InChI=1S/C26H16Cl2N2/c27-19-13-9-17(10-14-19)25-21-5-1-3-7-23(21)29-26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30-25/h1-16H/b25-21-,26-22-,29-23-,29-26-,30-24-,30-25-.
What are the key properties of 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine?
6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine has a molecular weight of 427.33 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(4-chlorophenyl)benzo[c][1,5]benzodiazocine is sourced from PubChem (CID 13302472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).