5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one

C34H28N2O — CID 90379869

IUPAC5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one
SMILESCC1(C)C2=C(CCC=C2)N(c2ccccc2)c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C34H28N2O/c1-34(2)28-17-9-11-19-31(28)35(23-12-4-3-5-13-23)32-21-20-24(22-29(32)34)36-30-18-10-8-15-26(30)25-14-6-7-16-27(25)33(36)37/h3-10,12-18,20-22H,11,19H2,1-2H3
InChIKeyWVYLNNIOYPJKMT-UHFFFAOYSA-N
MW480.61 g/mol
LogP8.18
Rot. Bonds2

About 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one

5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one (PubChem CID 90379869) has the molecular formula C34H28N2O and a molecular weight of 480.61 g/mol. Its IUPAC name is 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one.

Molecular Properties

Compound Name5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one
PubChem CID90379869
Molecular FormulaC34H28N2O
Molecular Weight480.61 g/mol
Exact Mass480.22
IUPAC Name5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one
SMILESCC1(C)C2=C(CCC=C2)N(c2ccccc2)c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C34H28N2O/c1-34(2)28-17-9-11-19-31(28)35(23-12-4-3-5-13-23)32-21-20-24(22-29(32)34)36-30-18-10-8-15-26(30)25-14-6-7-16-27(25)33(36)37/h3-10,12-18,20-22H,11,19H2,1-2H3
InChIKeyWVYLNNIOYPJKMT-UHFFFAOYSA-N
XLogP8.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
CID 137469791
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
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-[3-[3-(3-buta-1,3-dien-2-yl-5-phenylphenyl)phenyl]-5-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14,14-dimethyl-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(20),16-octaene
CID 123986590
10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111087
5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine
CID 163524546
6,14-bis[4-[2,7-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599593
5-phenyl-9,10-dihydrophenanthridin-6-one
CID 153394465
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
CID 70885876

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one?
The IUPAC name of 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one (CID 90379869) is 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one.
What is the SMILES notation for 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one?
The canonical SMILES for 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one is CC1(C)C2=C(CCC=C2)N(c2ccccc2)c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one?
The InChIKey is WVYLNNIOYPJKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O/c1-34(2)28-17-9-11-19-31(28)35(23-12-4-3-5-13-23)32-21-20-24(22-29(32)34)36-30-18-10-8-15-26(30)25-14-6-7-16-27(25)33(36)37/h3-10,12-18,20-22H,11,19H2,1-2H3.
What are the key properties of 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one?
5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one has a molecular weight of 480.61 g/mol, XLogP of 8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one is sourced from PubChem (CID 90379869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).