4-(9,9-diphenylacridin-10-yl)benzonitrile

C32H22N2 — CID 59470082

IUPAC4-(9,9-diphenylacridin-10-yl)benzonitrile
SMILESN#Cc1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C32H22N2/c33-23-24-19-21-27(22-20-24)34-30-17-9-7-15-28(30)32(25-11-3-1-4-12-25,26-13-5-2-6-14-26)29-16-8-10-18-31(29)34/h1-22H
InChIKeyPNNMAMPGSVIURJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.72
Rot. Bonds3

About 4-(9,9-diphenylacridin-10-yl)benzonitrile

4-(9,9-diphenylacridin-10-yl)benzonitrile (PubChem CID 59470082) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(9,9-diphenylacridin-10-yl)benzonitrile.

Molecular Properties

Compound Name4-(9,9-diphenylacridin-10-yl)benzonitrile
PubChem CID59470082
Molecular FormulaC32H22N2
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name4-(9,9-diphenylacridin-10-yl)benzonitrile
SMILESN#Cc1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C32H22N2/c33-23-24-19-21-27(22-20-24)34-30-17-9-7-15-28(30)32(25-11-3-1-4-12-25,26-13-5-2-6-14-26)29-16-8-10-18-31(29)34/h1-22H
InChIKeyPNNMAMPGSVIURJ-UHFFFAOYSA-N
XLogP7.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylacridin-10-yl)benzonitrile?
The IUPAC name of 4-(9,9-diphenylacridin-10-yl)benzonitrile (CID 59470082) is 4-(9,9-diphenylacridin-10-yl)benzonitrile.
What is the SMILES notation for 4-(9,9-diphenylacridin-10-yl)benzonitrile?
The canonical SMILES for 4-(9,9-diphenylacridin-10-yl)benzonitrile is N#Cc1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 4-(9,9-diphenylacridin-10-yl)benzonitrile?
The InChIKey is PNNMAMPGSVIURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2/c33-23-24-19-21-27(22-20-24)34-30-17-9-7-15-28(30)32(25-11-3-1-4-12-25,26-13-5-2-6-14-26)29-16-8-10-18-31(29)34/h1-22H.
What are the key properties of 4-(9,9-diphenylacridin-10-yl)benzonitrile?
4-(9,9-diphenylacridin-10-yl)benzonitrile has a molecular weight of 434.54 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylacridin-10-yl)benzonitrile is sourced from PubChem (CID 59470082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).