4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile

C44H34N4 — CID 134579025

IUPAC4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(C#N)cc4C#N)ccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C44H34N4/c1-43(2)35-14-8-10-16-39(35)48(40-17-11-9-15-36(40)43)33-20-23-42-38(26-33)44(3,4)37-25-30(34-21-18-29(27-45)24-31(34)28-46)19-22-41(37)47(42)32-12-6-5-7-13-32/h5-26H,1-4H3
InChIKeyVLUMKJOEDYLJQE-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.32
Rot. Bonds3

About 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile

4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 134579025) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
PubChem CID134579025
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(C#N)cc4C#N)ccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C44H34N4/c1-43(2)35-14-8-10-16-39(35)48(40-17-11-9-15-36(40)43)33-20-23-42-38(26-33)44(3,4)37-25-30(34-21-18-29(27-45)24-31(34)28-46)19-22-41(37)47(42)32-12-6-5-7-13-32/h5-26H,1-4H3
InChIKeyVLUMKJOEDYLJQE-UHFFFAOYSA-N
XLogP11.32
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile
CID 167401892
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]acridine;10-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)acridine;9,9-dimethyl-10-(4-phenylphenyl)-2,7-bis(5-phenylthiophen-2-yl)acridine
CID 158467826

Frequently Asked Questions

What is the IUPAC name of 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile (CID 134579025) is 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(C#N)cc4C#N)ccc2N3c2ccccc2)c2ccccc21.
What is the InChIKey of 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is VLUMKJOEDYLJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-43(2)35-14-8-10-16-39(35)48(40-17-11-9-15-36(40)43)33-20-23-42-38(26-33)44(3,4)37-25-30(34-21-18-29(27-45)24-31(34)28-46)19-22-41(37)47(42)32-12-6-5-7-13-32/h5-26H,1-4H3.
What are the key properties of 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile?
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 618.78 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134579025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).