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

C28H22N2 — CID 13302471

IUPAC6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine
SMILESCc1ccc(/C2=N/c3ccccc3/C(c3ccc(C)cc3)=N\c3ccccc32)cc1
InChIInChI=1S/C28H22N2/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)30-28(22-17-13-20(2)14-18-22)24-8-4-6-10-26(24)29-27/h3-18H,1-2H3/b27-23-,28-24-,29-26-,29-27-,30-25-,30-28-
InChIKeyVZOLKWIOUXMKNO-ODHGYEECSA-N
MW386.50 g/mol
LogP6.96
Rot. Bonds2

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

6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine (PubChem CID 13302471) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine
PubChem CID13302471
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine
SMILESCc1ccc(/C2=N/c3ccccc3/C(c3ccc(C)cc3)=N\c3ccccc32)cc1
InChIInChI=1S/C28H22N2/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)30-28(22-17-13-20(2)14-18-22)24-8-4-6-10-26(24)29-27/h3-18H,1-2H3/b27-23-,28-24-,29-26-,29-27-,30-25-,30-28-
InChIKeyVZOLKWIOUXMKNO-ODHGYEECSA-N
XLogP6.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Diphenylmethylene)aniline
CID 219140
N,N'-Terephthalylidenebis(4-butylaniline)
CID 141503
N-p-Tolyl-2,2-diphenylvinylideneamine
CID 344832
N,N'-Bisbenzylidenebenzidine
CID 238698
N,N'-Terephthalylidenedianiline
CID 291023
6,11-Diphenylbenzo[c][1,6]benzodiazocine
CID 1848339
2,4-Diphenyl-3H-1,5-benzodiazepine
CID 364834
Aniline, 4,4'-methylenebis(N-(diphenylvinylidene)-
CID 208703
N,N'-Terephthalylidenebis(3,5-dimethylaniline)
CID 318586
4,4'-Methylenebis(N-benzylideneaniline)
CID 633047
6,12-Diphenyldibenzo[b,f][1,5]diazocine
CID 296709
2,8-Dimethyl-6,12-diphenyldibenzo[b,f][1,5]diazocine
CID 1600437

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine?
The IUPAC name of 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine (CID 13302471) is 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine.
What is the SMILES notation for 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine?
The canonical SMILES for 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine is Cc1ccc(/C2=N/c3ccccc3/C(c3ccc(C)cc3)=N\c3ccccc32)cc1.
What is the InChIKey of 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine?
The InChIKey is VZOLKWIOUXMKNO-ODHGYEECSA-N. The full InChI is InChI=1S/C28H22N2/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)30-28(22-17-13-20(2)14-18-22)24-8-4-6-10-26(24)29-27/h3-18H,1-2H3/b27-23-,28-24-,29-26-,29-27-,30-25-,30-28-.
What are the key properties of 6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine?
6,12-bis(4-methylphenyl)benzo[c][1,5]benzodiazocine has a molecular weight of 386.50 g/mol, XLogP of 6.96, 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-methylphenyl)benzo[c][1,5]benzodiazocine is sourced from PubChem (CID 13302471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).