2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile

C29H24N2 — CID 122435842

IUPAC2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
SMILESCc1ccc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c(C#N)c1
InChIInChI=1S/C29H24N2/c1-20-12-17-24(22(18-20)19-30)21-13-15-23(16-14-21)31-27-10-6-4-8-25(27)29(2,3)26-9-5-7-11-28(26)31/h4-18H,1-3H3
InChIKeySPODKBPUGUVFQJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.64
Rot. Bonds2

About 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile

2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile (PubChem CID 122435842) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
PubChem CID122435842
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
SMILESCc1ccc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c(C#N)c1
InChIInChI=1S/C29H24N2/c1-20-12-17-24(22(18-20)19-30)21-13-15-23(16-14-21)31-27-10-6-4-8-25(27)29(2,3)26-9-5-7-11-28(26)31/h4-18H,1-3H3
InChIKeySPODKBPUGUVFQJ-UHFFFAOYSA-N
XLogP7.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
2-[4-(2,3-dihydroindol-1-yl)phenyl]-5-methylbenzonitrile
CID 122435818
[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 142369827
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile?
The IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile (CID 122435842) is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile.
What is the SMILES notation for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile?
The canonical SMILES for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile is Cc1ccc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c(C#N)c1.
What is the InChIKey of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile?
The InChIKey is SPODKBPUGUVFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2/c1-20-12-17-24(22(18-20)19-30)21-13-15-23(16-14-21)31-27-10-6-4-8-25(27)29(2,3)26-9-5-7-11-28(26)31/h4-18H,1-3H3.
What are the key properties of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile?
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile has a molecular weight of 400.53 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile is sourced from PubChem (CID 122435842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).