acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione

C76H62N8O5 — CID 157475136

IUPACacetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione
SMILESCC(=O)O.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)c(-c4ccccn4)n3-c3ccccc3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(C=O)cc2)c2ccccc21.O=C(C(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C40H31N5.C22H19NO.C12H8N2O2.C2H4O2/c1-40(2)31-16-6-8-20-35(31)44(36-21-9-7-17-32(36)40)30-24-22-28(23-25-30)39-43-37(33-18-10-12-26-41-33)38(34-19-11-13-27-42-34)45(39)29-14-4-3-5-15-29;1-22(2)18-7-3-5-9-20(18)23(21-10-6-4-8-19(21)22)17-13-11-16(15-24)12-14-17;15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10;1-2(3)4/h3-27H,1-2H3;3-15H,1-2H3;1-8H;1H3,(H,3,4)
InChIKeyHZEKXQYSYXNQAX-UHFFFAOYSA-N
MW1167.38 g/mol
LogP17.01
Rot. Bonds10

About acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione

acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione (PubChem CID 157475136) has the molecular formula C76H62N8O5 and a molecular weight of 1167.38 g/mol. Its IUPAC name is acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione.

Molecular Properties

Compound Nameacetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione
PubChem CID157475136
Molecular FormulaC76H62N8O5
Molecular Weight1167.38 g/mol
Exact Mass1166.48
IUPAC Nameacetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione
SMILESCC(=O)O.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)c(-c4ccccn4)n3-c3ccccc3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(C=O)cc2)c2ccccc21.O=C(C(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C40H31N5.C22H19NO.C12H8N2O2.C2H4O2/c1-40(2)31-16-6-8-20-35(31)44(36-21-9-7-17-32(36)40)30-24-22-28(23-25-30)39-43-37(33-18-10-12-26-41-33)38(34-19-11-13-27-42-34)45(39)29-14-4-3-5-15-29;1-22(2)18-7-3-5-9-20(18)23(21-10-6-4-8-19(21)22)17-13-11-16(15-24)12-14-17;15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10;1-2(3)4/h3-27H,1-2H3;3-15H,1-2H3;1-8H;1H3,(H,3,4)
InChIKeyHZEKXQYSYXNQAX-UHFFFAOYSA-N
XLogP17.01
TPSA164.37 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.38
LogP ≤ 517.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione with MolForge

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Related Compounds

2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
CID 154952703
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 154952867
10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
CID 163749587
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane
CID 158552321
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate
CID 145155865

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione?
The IUPAC name of acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione (CID 157475136) is acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione.
What is the SMILES notation for acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione?
The canonical SMILES for acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione is CC(=O)O.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)c(-c4ccccn4)n3-c3ccccc3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(C=O)cc2)c2ccccc21.O=C(C(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione?
The InChIKey is HZEKXQYSYXNQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N5.C22H19NO.C12H8N2O2.C2H4O2/c1-40(2)31-16-6-8-20-35(31)44(36-21-9-7-17-32(36)40)30-24-22-28(23-25-30)39-43-37(33-18-10-12-26-41-33)38(34-19-11-13-27-42-34)45(39)29-14-4-3-5-15-29;1-22(2)18-7-3-5-9-20(18)23(21-10-6-4-8-19(21)22)17-13-11-16(15-24)12-14-17;15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10;1-2(3)4/h3-27H,1-2H3;3-15H,1-2H3;1-8H;1H3,(H,3,4).
What are the key properties of acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione?
acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione has a molecular weight of 1167.38 g/mol, XLogP of 17.01, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione is sourced from PubChem (CID 157475136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).