9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine

C48H41N3O — CID 166777777

IUPAC9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine
SMILESCC1(C)C2=C(CCC=C2)N(c2cc(C3C(c4ccccc4)NN(c4ccccc4)C3c3ccccc3)c3oc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C48H41N3O/c1-48(2)39-25-13-15-27-41(39)50(42-28-16-14-26-40(42)48)35-30-37-36-24-12-17-29-43(36)52-47(37)38(31-35)44-45(32-18-6-3-7-19-32)49-51(34-22-10-5-11-23-34)46(44)33-20-8-4-9-21-33/h3-15,17-27,29-31,44-46,49H,16,28H2,1-2H3
InChIKeyDERJWXFMHBGWJX-UHFFFAOYSA-N
MW675.88 g/mol
LogP12.21
Rot. Bonds5

About 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine

9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine (PubChem CID 166777777) has the molecular formula C48H41N3O and a molecular weight of 675.88 g/mol. Its IUPAC name is 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine
PubChem CID166777777
Molecular FormulaC48H41N3O
Molecular Weight675.88 g/mol
Exact Mass675.32
IUPAC Name9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine
SMILESCC1(C)C2=C(CCC=C2)N(c2cc(C3C(c4ccccc4)NN(c4ccccc4)C3c3ccccc3)c3oc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C48H41N3O/c1-48(2)39-25-13-15-27-41(39)50(42-28-16-14-26-40(42)48)35-30-37-36-24-12-17-29-43(36)52-47(37)38(31-35)44-45(32-18-6-3-7-19-32)49-51(34-22-10-5-11-23-34)46(44)33-20-8-4-9-21-33/h3-15,17-27,29-31,44-46,49H,16,28H2,1-2H3
InChIKeyDERJWXFMHBGWJX-UHFFFAOYSA-N
XLogP12.21
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 512.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine with MolForge

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Related Compounds

10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111087
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one
CID 90379869
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide
CID 163959695
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
13-[4-(9,9-dimethylacridin-10-yl)phenyl]-27-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-3-oxa-17-azaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4,6,8,10,12(29),13,15,18,20,22,24,26(30),27-tetradecaene
CID 163808062
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
8,8,14,14-tetramethyl-5-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70893333
10-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)-5,5-dimethyl-1,2,4a,10a-tetrahydrophenothiazine
CID 163644936
CID 174077741
CID 174077741

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine?
The IUPAC name of 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine (CID 166777777) is 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine.
What is the SMILES notation for 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine?
The canonical SMILES for 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine is CC1(C)C2=C(CCC=C2)N(c2cc(C3C(c4ccccc4)NN(c4ccccc4)C3c3ccccc3)c3oc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine?
The InChIKey is DERJWXFMHBGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N3O/c1-48(2)39-25-13-15-27-41(39)50(42-28-16-14-26-40(42)48)35-30-37-36-24-12-17-29-43(36)52-47(37)38(31-35)44-45(32-18-6-3-7-19-32)49-51(34-22-10-5-11-23-34)46(44)33-20-8-4-9-21-33/h3-15,17-27,29-31,44-46,49H,16,28H2,1-2H3.
What are the key properties of 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine?
9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine has a molecular weight of 675.88 g/mol, XLogP of 12.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazolidin-4-yl)dibenzofuran-2-yl]-3,4-dihydroacridine is sourced from PubChem (CID 166777777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).