(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine

C26H16Cl2N2 — CID 5359911

IUPAC(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine
SMILESClc1ccc2/c(c1)=C(c1ccccc1)\N=c1\ccc(Cl)c\c1=C(c1ccccc1)\N=2
InChIInChI=1S/C26H16Cl2N2/c27-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)29-24-14-12-20(28)16-22(24)26(30-23)18-9-5-2-6-10-18/h1-16H/b25-21-,26-22-,29-24-,29-25-,30-23-,30-26-
InChIKeyMQGFJTPZIBDFDR-JOHVSHHLSA-N
MW427.33 g/mol
LogP4.26
Rot. Bonds2

About (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine

(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine (PubChem CID 5359911) has the molecular formula C26H16Cl2N2 and a molecular weight of 427.33 g/mol. Its IUPAC name is (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine
PubChem CID5359911
Molecular FormulaC26H16Cl2N2
Molecular Weight427.33 g/mol
Exact Mass426.07
IUPAC Name(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine
SMILESClc1ccc2/c(c1)=C(c1ccccc1)\N=c1\ccc(Cl)c\c1=C(c1ccccc1)\N=2
InChIInChI=1S/C26H16Cl2N2/c27-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)29-24-14-12-20(28)16-22(24)26(30-23)18-9-5-2-6-10-18/h1-16H/b25-21-,26-22-,29-24-,29-25-,30-23-,30-26-
InChIKeyMQGFJTPZIBDFDR-JOHVSHHLSA-N
XLogP4.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine?
The IUPAC name of (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine (CID 5359911) is (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine.
What is the SMILES notation for (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine?
The canonical SMILES for (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine is Clc1ccc2/c(c1)=C(c1ccccc1)\N=c1\ccc(Cl)c\c1=C(c1ccccc1)\N=2.
What is the InChIKey of (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine?
The InChIKey is MQGFJTPZIBDFDR-JOHVSHHLSA-N. The full InChI is InChI=1S/C26H16Cl2N2/c27-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)29-24-14-12-20(28)16-22(24)26(30-23)18-9-5-2-6-10-18/h1-16H/b25-21-,26-22-,29-24-,29-25-,30-23-,30-26-.
What are the key properties of (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine?
(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine has a molecular weight of 427.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine is sourced from PubChem (CID 5359911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).