3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile

C30H28N4 — CID 122610017

IUPAC3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile
SMILESCC(C)c1c(C#N)c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c1C(C)C
InChIInChI=1S/C30H28N4/c1-18(2)27-20(15-31)21(16-32)29(22(17-33)28(27)19(3)4)34-25-13-9-7-11-23(25)30(5,6)24-12-8-10-14-26(24)34/h7-14,18-19H,1-6H3
InChIKeyWBZSHVVERRTZPD-UHFFFAOYSA-N
MW444.58 g/mol
LogP7.66
Rot. Bonds3

About 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile

3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile (PubChem CID 122610017) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Name3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile
PubChem CID122610017
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC Name3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile
SMILESCC(C)c1c(C#N)c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c1C(C)C
InChIInChI=1S/C30H28N4/c1-18(2)27-20(15-31)21(16-32)29(22(17-33)28(27)19(3)4)34-25-13-9-7-11-23(25)30(5,6)24-12-8-10-14-26(24)34/h7-14,18-19H,1-6H3
InChIKeyWBZSHVVERRTZPD-UHFFFAOYSA-N
XLogP7.66
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 57.66
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
2,4,6-tris(9,9-dimethylacridin-10-yl)-3,5-bis(trifluoromethyl)benzonitrile
CID 134183428
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
2,3,5,6-tetrakis(benzo[b][1]benzazepin-11-yl)-4-(trifluoromethyl)benzonitrile;2,3,5,6-tetrakis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-4-(trifluoromethyl)benzonitrile;2,3,5,6-tetrakis(9,9-dimethylacridin-10-yl)-4-(trifluoromethyl)benzonitrile
CID 159645026
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
CID 134194197
8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 12555375
5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile
CID 122607612
4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile
CID 164801066

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile?
The IUPAC name of 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile (CID 122610017) is 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile.
What is the SMILES notation for 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile?
The canonical SMILES for 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile is CC(C)c1c(C#N)c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c1C(C)C.
What is the InChIKey of 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile?
The InChIKey is WBZSHVVERRTZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4/c1-18(2)27-20(15-31)21(16-32)29(22(17-33)28(27)19(3)4)34-25-13-9-7-11-23(25)30(5,6)24-12-8-10-14-26(24)34/h7-14,18-19H,1-6H3.
What are the key properties of 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile?
3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile has a molecular weight of 444.58 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile is sourced from PubChem (CID 122610017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).