10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine

C36H31N3O2 — CID 59399557

IUPAC10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C36H31N3O2/c1-35(2)27-13-5-9-17-31(27)37(32-18-10-6-14-28(32)35)24-21-25(23-26(22-24)39(40)41)38-33-19-11-7-15-29(33)36(3,4)30-16-8-12-20-34(30)38/h5-23H,1-4H3
InChIKeyNBGOHIKLHBRRRZ-UHFFFAOYSA-N
MW537.66 g/mol
LogP9.81
Rot. Bonds3

About 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine

10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine (PubChem CID 59399557) has the molecular formula C36H31N3O2 and a molecular weight of 537.66 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
PubChem CID59399557
Molecular FormulaC36H31N3O2
Molecular Weight537.66 g/mol
Exact Mass537.24
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C36H31N3O2/c1-35(2)27-13-5-9-17-31(27)37(32-18-10-6-14-28(32)35)24-21-25(23-26(22-24)39(40)41)38-33-19-11-7-15-29(33)36(3,4)30-16-8-12-20-34(30)38/h5-23H,1-4H3
InChIKeyNBGOHIKLHBRRRZ-UHFFFAOYSA-N
XLogP9.81
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
9,9,10-trimethyl-2-nitroacridine
CID 53253608
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268859
10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
CID 59399664
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine (CID 59399557) is 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine?
The InChIKey is NBGOHIKLHBRRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3O2/c1-35(2)27-13-5-9-17-31(27)37(32-18-10-6-14-28(32)35)24-21-25(23-26(22-24)39(40)41)38-33-19-11-7-15-29(33)36(3,4)30-16-8-12-20-34(30)38/h5-23H,1-4H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine?
10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine has a molecular weight of 537.66 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine is sourced from PubChem (CID 59399557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).