15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol

C38H31N3O — CID 171580001

IUPAC15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccccc2-c2cc(-c3ccc4c(c3)N(c3ccccn3)c3ccccc3C4(C)C)nc3c(O)ccc1c23
InChIInChI=1S/C38H31N3O/c1-37(2)26-12-6-5-11-24(26)25-22-30(40-36-33(42)19-18-29(37)35(25)36)23-16-17-28-32(21-23)41(34-15-9-10-20-39-34)31-14-8-7-13-27(31)38(28,3)4/h5-22,42H,1-4H3/i1D3,2D3
InChIKeyCKSBOQCRDSJEAA-WFGJKAKNSA-N
MW551.72 g/mol
LogP9.42
Rot. Bonds4

About 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol

15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol (PubChem CID 171580001) has the molecular formula C38H31N3O and a molecular weight of 551.72 g/mol. Its IUPAC name is 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol.

Molecular Properties

Compound Name15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
PubChem CID171580001
Molecular FormulaC38H31N3O
Molecular Weight551.72 g/mol
Exact Mass551.28
IUPAC Name15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccccc2-c2cc(-c3ccc4c(c3)N(c3ccccn3)c3ccccc3C4(C)C)nc3c(O)ccc1c23
InChIInChI=1S/C38H31N3O/c1-37(2)26-12-6-5-11-24(26)25-22-30(40-36-33(42)19-18-29(37)35(25)36)23-16-17-28-32(21-23)41(34-15-9-10-20-39-34)31-14-8-7-13-27(31)38(28,3)4/h5-22,42H,1-4H3/i1D3,2D3
InChIKeyCKSBOQCRDSJEAA-WFGJKAKNSA-N
XLogP9.42
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.72
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol 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

2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
CID 171579701
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
CID 171580025
7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134

Frequently Asked Questions

What is the IUPAC name of 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol?
The IUPAC name of 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol (CID 171580001) is 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol.
What is the SMILES notation for 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol?
The canonical SMILES for 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccccc2-c2cc(-c3ccc4c(c3)N(c3ccccn3)c3ccccc3C4(C)C)nc3c(O)ccc1c23.
What is the InChIKey of 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol?
The InChIKey is CKSBOQCRDSJEAA-WFGJKAKNSA-N. The full InChI is InChI=1S/C38H31N3O/c1-37(2)26-12-6-5-11-24(26)25-22-30(40-36-33(42)19-18-29(37)35(25)36)23-16-17-28-32(21-23)41(34-15-9-10-20-39-34)31-14-8-7-13-27(31)38(28,3)4/h5-22,42H,1-4H3/i1D3,2D3.
What are the key properties of 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol?
15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol has a molecular weight of 551.72 g/mol, XLogP of 9.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol is sourced from PubChem (CID 171580001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).