N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide

C30H24N4O2 — CID 23638157

IUPACN-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)/C(c1ccccc1)=N\c1cccc(NC(C)=O)c1/C(c1ccccc1)=N\2
InChIInChI=1S/C30H24N4O2/c1-19(35)31-23-16-17-25-24(18-23)29(21-10-5-3-6-11-21)34-27-15-9-14-26(32-20(2)36)28(27)30(33-25)22-12-7-4-8-13-22/h3-18H,1-2H3,(H,31,35)(H,32,36)/b29-24-,30-28-,33-25-,33-30-,34-27-,34-29-
InChIKeySIJDCNYXEWCFRB-FAKCIJCMSA-N
MW472.55 g/mol
LogP6.26
Rot. Bonds4

About N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide

N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide (PubChem CID 23638157) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide
PubChem CID23638157
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC NameN-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)/C(c1ccccc1)=N\c1cccc(NC(C)=O)c1/C(c1ccccc1)=N\2
InChIInChI=1S/C30H24N4O2/c1-19(35)31-23-16-17-25-24(18-23)29(21-10-5-3-6-11-21)34-27-15-9-14-26(32-20(2)36)28(27)30(33-25)22-12-7-4-8-13-22/h3-18H,1-2H3,(H,31,35)(H,32,36)/b29-24-,30-28-,33-25-,33-30-,34-27-,34-29-
InChIKeySIJDCNYXEWCFRB-FAKCIJCMSA-N
XLogP6.26
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide?
The IUPAC name of N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide (CID 23638157) is N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide.
What is the SMILES notation for N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide?
The canonical SMILES for N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)/C(c1ccccc1)=N\c1cccc(NC(C)=O)c1/C(c1ccccc1)=N\2.
What is the InChIKey of N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide?
The InChIKey is SIJDCNYXEWCFRB-FAKCIJCMSA-N. The full InChI is InChI=1S/C30H24N4O2/c1-19(35)31-23-16-17-25-24(18-23)29(21-10-5-3-6-11-21)34-27-15-9-14-26(32-20(2)36)28(27)30(33-25)22-12-7-4-8-13-22/h3-18H,1-2H3,(H,31,35)(H,32,36)/b29-24-,30-28-,33-25-,33-30-,34-27-,34-29-.
What are the key properties of N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide?
N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide has a molecular weight of 472.55 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide is sourced from PubChem (CID 23638157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).