9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane

C42H37N3 — CID 158720213

IUPAC9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
SMILESCC.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc21
InChIInChI=1S/C40H31N3.C2H6/c1-40(2)33-17-9-11-19-36(33)42(31-15-7-4-8-16-31)37-26-23-30(27-34(37)40)28-21-24-32(25-22-28)43-38-20-12-10-18-35(38)41-39(43)29-13-5-3-6-14-29;1-2/h3-27H,1-2H3;1-2H3
InChIKeyIJVALWGDQNNQJP-UHFFFAOYSA-N
MW583.78 g/mol
LogP11.49
Rot. Bonds4

About 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane

9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane (PubChem CID 158720213) has the molecular formula C42H37N3 and a molecular weight of 583.78 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane.

Molecular Properties

Compound Name9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
PubChem CID158720213
Molecular FormulaC42H37N3
Molecular Weight583.78 g/mol
Exact Mass583.30
IUPAC Name9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
SMILESCC.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc21
InChIInChI=1S/C40H31N3.C2H6/c1-40(2)33-17-9-11-19-36(33)42(31-15-7-4-8-16-31)37-26-23-30(27-34(37)40)28-21-24-32(25-22-28)43-38-20-12-10-18-35(38)41-39(43)29-13-5-3-6-14-29;1-2/h3-27H,1-2H3;1-2H3
InChIKeyIJVALWGDQNNQJP-UHFFFAOYSA-N
XLogP11.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805197
9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
CID 71007109
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 118688217
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
CID 71007192
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
CID 126731320
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane?
The IUPAC name of 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane (CID 158720213) is 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane.
What is the SMILES notation for 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane?
The canonical SMILES for 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane is CC.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane?
The InChIKey is IJVALWGDQNNQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3.C2H6/c1-40(2)33-17-9-11-19-36(33)42(31-15-7-4-8-16-31)37-26-23-30(27-34(37)40)28-21-24-32(25-22-28)43-38-20-12-10-18-35(38)41-39(43)29-13-5-3-6-14-29;1-2/h3-27H,1-2H3;1-2H3.
What are the key properties of 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane?
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane has a molecular weight of 583.78 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane is sourced from PubChem (CID 158720213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).