7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

C31H24N2 — CID 118895784

IUPAC7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCn1c2ccccc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H24N2/c1-32-30-14-8-9-15-31(30)33(32)29-18-16-25(17-19-29)28-21-26(23-10-4-2-5-11-23)20-27(22-28)24-12-6-3-7-13-24/h2-22H,1H3
InChIKeySCJOFXAHIYTXRU-UHFFFAOYSA-N
MW424.55 g/mol
LogP7.97
Rot. Bonds4

About 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 118895784) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID118895784
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCn1c2ccccc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H24N2/c1-32-30-14-8-9-15-31(30)33(32)29-18-16-25(17-19-29)28-21-26(23-10-4-2-5-11-23)20-27(22-28)24-12-6-3-7-13-24/h2-22H,1H3
InChIKeySCJOFXAHIYTXRU-UHFFFAOYSA-N
XLogP7.97
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (CID 118895784) is 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is Cn1c2ccccc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is SCJOFXAHIYTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-32-30-14-8-9-15-31(30)33(32)29-18-16-25(17-19-29)28-21-26(23-10-4-2-5-11-23)20-27(22-28)24-12-6-3-7-13-24/h2-22H,1H3.
What are the key properties of 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 424.55 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,5-diphenylphenyl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 118895784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).