9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine

C46H33N3O — CID 71007109

IUPAC9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc3oc4ccc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)cc4c3c2)c2ccccc21
InChIInChI=1S/C46H33N3O/c1-46(2)37-14-6-9-17-40(37)48(41-18-10-7-15-38(41)46)34-25-27-44-36(29-34)35-28-32(22-26-43(35)50-44)30-20-23-33(24-21-30)49-42-19-11-8-16-39(42)47-45(49)31-12-4-3-5-13-31/h3-29H,1-2H3
InChIKeyFFMUTDPTRGANCW-UHFFFAOYSA-N
MW643.79 g/mol
LogP12.37
Rot. Bonds4

About 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine

9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine (PubChem CID 71007109) has the molecular formula C46H33N3O and a molecular weight of 643.79 g/mol. Its IUPAC name is 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
PubChem CID71007109
Molecular FormulaC46H33N3O
Molecular Weight643.79 g/mol
Exact Mass643.26
IUPAC Name9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc3oc4ccc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)cc4c3c2)c2ccccc21
InChIInChI=1S/C46H33N3O/c1-46(2)37-14-6-9-17-40(37)48(41-18-10-7-15-38(41)46)34-25-27-44-36(29-34)35-28-32(22-26-43(35)50-44)30-20-23-33(24-21-30)49-42-19-11-8-16-39(42)47-45(49)31-12-4-3-5-13-31/h3-29H,1-2H3
InChIKeyFFMUTDPTRGANCW-UHFFFAOYSA-N
XLogP12.37
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
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
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
21-dibenzofuran-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]-21-(3-phenylphenyl)-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;10-(2-phenylbenzimidazol-1-yl)-21-(3-phenylphenyl)-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;21-(3-phenylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene
CID 159429010
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine?
The IUPAC name of 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine (CID 71007109) is 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine?
The canonical SMILES for 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine is CC1(C)c2ccccc2N(c2ccc3oc4ccc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)cc4c3c2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine?
The InChIKey is FFMUTDPTRGANCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3O/c1-46(2)37-14-6-9-17-40(37)48(41-18-10-7-15-38(41)46)34-25-27-44-36(29-34)35-28-32(22-26-43(35)50-44)30-20-23-33(24-21-30)49-42-19-11-8-16-39(42)47-45(49)31-12-4-3-5-13-31/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine?
9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine has a molecular weight of 643.79 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine is sourced from PubChem (CID 71007109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).