[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine

C43H37N3 — CID 177422791

IUPAC[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1cccc(/C(=N/[H])c2ccc(C)cc2)c1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C43H37N3/c1-28-16-20-31(21-17-28)41(44)34-10-9-11-35(42(45)32-22-18-29(2)19-23-32)40(34)30-24-26-33(27-25-30)46-38-14-7-5-12-36(38)43(3,4)37-13-6-8-15-39(37)46/h5-27,44-45H,1-4H3/b44-41+,45-42+
InChIKeyXYQLSAAJFAXUSZ-XGGPBGRXSA-N
MW595.79 g/mol
LogP10.91
Rot. Bonds6

About [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine

[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine (PubChem CID 177422791) has the molecular formula C43H37N3 and a molecular weight of 595.79 g/mol. Its IUPAC name is [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine
PubChem CID177422791
Molecular FormulaC43H37N3
Molecular Weight595.79 g/mol
Exact Mass595.30
IUPAC Name[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1cccc(/C(=N/[H])c2ccc(C)cc2)c1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C43H37N3/c1-28-16-20-31(21-17-28)41(44)34-10-9-11-35(42(45)32-22-18-29(2)19-23-32)40(34)30-24-26-33(27-25-30)46-38-14-7-5-12-36(38)43(3,4)37-13-6-8-15-39(37)46/h5-27,44-45H,1-4H3/b44-41+,45-42+
InChIKeyXYQLSAAJFAXUSZ-XGGPBGRXSA-N
XLogP10.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
4,9-bis[4-(9,9-dimethylacridin-10-yl)phenyl]benzo[f][2,1,3]benzothiadiazole
CID 176727950
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine
CID 123627452
[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 142369827
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
[2-(9,9-dimethylacridin-10-yl)phenyl]-(4-phenylphenyl)methanone
CID 71007112
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596

Frequently Asked Questions

What is the IUPAC name of [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine?
The IUPAC name of [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine (CID 177422791) is [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine.
What is the SMILES notation for [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine?
The canonical SMILES for [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine is [H]/N=C(\c1ccc(C)cc1)c1cccc(/C(=N/[H])c2ccc(C)cc2)c1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.
What is the InChIKey of [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine?
The InChIKey is XYQLSAAJFAXUSZ-XGGPBGRXSA-N. The full InChI is InChI=1S/C43H37N3/c1-28-16-20-31(21-17-28)41(44)34-10-9-11-35(42(45)32-22-18-29(2)19-23-32)40(34)30-24-26-33(27-25-30)46-38-14-7-5-12-36(38)43(3,4)37-13-6-8-15-39(37)46/h5-27,44-45H,1-4H3/b44-41+,45-42+.
What are the key properties of [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine?
[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine has a molecular weight of 595.79 g/mol, XLogP of 10.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine is sourced from PubChem (CID 177422791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).