9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine

C40H33N3 — CID 71007192

IUPAC9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5c4C=CCC5)cc3)cc21
InChIInChI=1S/C40H33N3/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/h3-9,11-17,19-27H,10,18H2,1-2H3
InChIKeyRLLOHAVWQAMDOF-UHFFFAOYSA-N
MW555.73 g/mol
LogP10.27
Rot. Bonds4

About 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine

9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine (PubChem CID 71007192) has the molecular formula C40H33N3 and a molecular weight of 555.73 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
PubChem CID71007192
Molecular FormulaC40H33N3
Molecular Weight555.73 g/mol
Exact Mass555.27
IUPAC Name9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5c4C=CCC5)cc3)cc21
InChIInChI=1S/C40H33N3/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/h3-9,11-17,19-27H,10,18H2,1-2H3
InChIKeyRLLOHAVWQAMDOF-UHFFFAOYSA-N
XLogP10.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.73
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
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
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[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]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
CID 134579034
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
CID 89265105

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine?
The IUPAC name of 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine (CID 71007192) is 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5c4C=CCC5)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine?
The InChIKey is RLLOHAVWQAMDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3/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/h3-9,11-17,19-27H,10,18H2,1-2H3.
What are the key properties of 9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine?
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine has a molecular weight of 555.73 g/mol, XLogP of 10.27, 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-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine is sourced from PubChem (CID 71007192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).