2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile

C35H23N3O — CID 152826591

IUPAC2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3oc4ccccc4c3c2-c2c(C#N)cccc2C#N)c2ccccc21
InChIInChI=1S/C35H23N3O/c1-35(2)25-13-4-6-15-27(25)38(28-16-7-5-14-26(28)35)29-18-19-31-33(24-12-3-8-17-30(24)39-31)34(29)32-22(20-36)10-9-11-23(32)21-37/h3-19H,1-2H3
InChIKeySVFBAGRRVGXPNH-UHFFFAOYSA-N
MW501.59 g/mol
LogP9.11
Rot. Bonds2

About 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile

2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 152826591) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
PubChem CID152826591
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3oc4ccccc4c3c2-c2c(C#N)cccc2C#N)c2ccccc21
InChIInChI=1S/C35H23N3O/c1-35(2)25-13-4-6-15-27(25)38(28-16-7-5-14-26(28)35)29-18-19-31-33(24-12-3-8-17-30(24)39-31)34(29)32-22(20-36)10-9-11-23(32)21-37/h3-19H,1-2H3
InChIKeySVFBAGRRVGXPNH-UHFFFAOYSA-N
XLogP9.11
TPSA63.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
CID 157278592
14-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213492
8-(9,9-dimethyl-2,7-diphenylacridin-10-yl)naphthalene-1-carbonitrile
CID 122435284
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
CID 126582541
15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene
CID 176747759
9,9-dimethylfluorene-4-carbonitrile
CID 67375715
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
ethane;17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 142357713
2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413810
1-methoxydibenzofuran-2-carbonitrile
CID 140513066

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile (CID 152826591) is 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2N(c2ccc3oc4ccccc4c3c2-c2c(C#N)cccc2C#N)c2ccccc21.
What is the InChIKey of 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is SVFBAGRRVGXPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c1-35(2)25-13-4-6-15-27(25)38(28-16-7-5-14-26(28)35)29-18-19-31-33(24-12-3-8-17-30(24)39-31)34(29)32-22(20-36)10-9-11-23(32)21-37/h3-19H,1-2H3.
What are the key properties of 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile?
2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 501.59 g/mol, XLogP of 9.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 152826591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).