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

C26H16F2N2 — CID 15352669

IUPAC6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine
SMILESFc1ccc(/C2=N/c3ccccc3/C(c3ccc(F)cc3)=N\c3ccccc32)cc1
InChIInChI=1S/C26H16F2N2/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-
InChIKeyOKJQPMWMMKFRHD-GABJPYRJSA-N
MW394.42 g/mol
LogP6.62
Rot. Bonds2

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

6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine (PubChem CID 15352669) has the molecular formula C26H16F2N2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine
PubChem CID15352669
Molecular FormulaC26H16F2N2
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Name6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine
SMILESFc1ccc(/C2=N/c3ccccc3/C(c3ccc(F)cc3)=N\c3ccccc32)cc1
InChIInChI=1S/C26H16F2N2/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-
InChIKeyOKJQPMWMMKFRHD-GABJPYRJSA-N
XLogP6.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine;(6Z,12E)-6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine;(6E,12E)-6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine
CID 139041750
4-[2-(4-fluorophenyl)-3H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline
CID 135408264
6-(4-fluorophenyl)-3-methylbenzo[b][1,4]benzothiazepine
CID 143446684
6,12-bis[4-(5-pyridin-4-yl-3-pyridinyl)phenyl]benzo[c][1,5]benzodiazocine
CID 118564609
2-(4-fluorophenyl)-5-thiophen-2-yl-3H-1,3,4-benzotriazepine
CID 135495000
6-(4-fluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 145482894
2-(4-bromophenyl)indol-3-one
CID 2312809
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]benzamide
CID 3993300
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
indeno[1,2-b]indole
CID 12963293
1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole
CID 134261027
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine?
The IUPAC name of 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine (CID 15352669) is 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine.
What is the SMILES notation for 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine?
The canonical SMILES for 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine is Fc1ccc(/C2=N/c3ccccc3/C(c3ccc(F)cc3)=N\c3ccccc32)cc1.
What is the InChIKey of 6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine?
The InChIKey is OKJQPMWMMKFRHD-GABJPYRJSA-N. The full InChI is InChI=1S/C26H16F2N2/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-fluorophenyl)benzo[c][1,5]benzodiazocine?
6,12-bis(4-fluorophenyl)benzo[c][1,5]benzodiazocine has a molecular weight of 394.42 g/mol, XLogP of 6.62, 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-fluorophenyl)benzo[c][1,5]benzodiazocine is sourced from PubChem (CID 15352669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).