9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine

C42H34N4Si — CID 140716784

IUPAC9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine
SMILESCc1cc(-c2cccc(N3c4ccccc4C(C)(C)c4ccc([Si]5(c6ccccn6)c6ccccc6-c6ccccc65)cc43)c2)n[nH]1
InChIInChI=1S/C42H34N4Si/c1-28-25-36(45-44-28)29-13-12-14-30(26-29)46-37-18-7-6-17-34(37)42(2,3)35-23-22-31(27-38(35)46)47(41-21-10-11-24-43-41)39-19-8-4-15-32(39)33-16-5-9-20-40(33)47/h4-27H,1-3H3,(H,44,45)
InChIKeyXDWIKTCRMZRHGC-UHFFFAOYSA-N
MW622.85 g/mol
LogP7.25
Rot. Bonds4

About 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine

9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine (PubChem CID 140716784) has the molecular formula C42H34N4Si and a molecular weight of 622.85 g/mol. Its IUPAC name is 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine
PubChem CID140716784
Molecular FormulaC42H34N4Si
Molecular Weight622.85 g/mol
Exact Mass622.26
IUPAC Name9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine
SMILESCc1cc(-c2cccc(N3c4ccccc4C(C)(C)c4ccc([Si]5(c6ccccn6)c6ccccc6-c6ccccc65)cc43)c2)n[nH]1
InChIInChI=1S/C42H34N4Si/c1-28-25-36(45-44-28)29-13-12-14-30(26-29)46-37-18-7-6-17-34(37)42(2,3)35-23-22-31(27-38(35)46)47(41-21-10-11-24-43-41)39-19-8-4-15-32(39)33-16-5-9-20-40(33)47/h4-27H,1-3H3,(H,44,45)
InChIKeyXDWIKTCRMZRHGC-UHFFFAOYSA-N
XLogP7.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.85
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine
CID 140716309
9-[3-[(5S)-10,10-dimethyl-5-pyridin-2-yl-7,8-dihydrobenzo[b][1]benzosilin-5-yl]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)carbazole
CID 159811199
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428452
8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
CID 118668352
2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]
CID 177278200
9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine (CID 140716784) is 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine is Cc1cc(-c2cccc(N3c4ccccc4C(C)(C)c4ccc([Si]5(c6ccccn6)c6ccccc6-c6ccccc65)cc43)c2)n[nH]1.
What is the InChIKey of 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine?
The InChIKey is XDWIKTCRMZRHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4Si/c1-28-25-36(45-44-28)29-13-12-14-30(26-29)46-37-18-7-6-17-34(37)42(2,3)35-23-22-31(27-38(35)46)47(41-21-10-11-24-43-41)39-19-8-4-15-32(39)33-16-5-9-20-40(33)47/h4-27H,1-3H3,(H,44,45).
What are the key properties of 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine?
9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine has a molecular weight of 622.85 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine is sourced from PubChem (CID 140716784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).