1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine

C44H32N2 — CID 132541870

IUPAC1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)c2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(C)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C44H32N2/c1-29-22-25-34(26-23-29)45-43(33-18-10-5-11-19-33)41-35-20-12-13-21-36(35)44-42(40(41)32-16-8-4-9-17-32)39(31-14-6-3-7-15-31)37-28-30(2)24-27-38(37)46-44/h3-28H,1-2H3/b45-43+
InChIKeyJLYRFUSEDGIVBC-SKKHQMBASA-N
MW588.75 g/mol
LogP11.66
Rot. Bonds5

About 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine

1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine (PubChem CID 132541870) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine
PubChem CID132541870
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)c2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(C)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C44H32N2/c1-29-22-25-34(26-23-29)45-43(33-18-10-5-11-19-33)41-35-20-12-13-21-36(35)44-42(40(41)32-16-8-4-9-17-32)39(31-14-6-3-7-15-31)37-28-30(2)24-27-38(37)46-44/h3-28H,1-2H3/b45-43+
InChIKeyJLYRFUSEDGIVBC-SKKHQMBASA-N
XLogP11.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-bromo-14-(4-phenylphenyl)phenanthro[9,10-b]quinoline
CID 141398118
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2,3,8-trimethyl-12-(4-methylphenyl)-5,11-diphenyl-6-(2,4,6-trimethylphenyl)tetracene
CID 162426532
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde
CID 137224351
2,3,8,9-tetratert-butyl-5,11-bis(4-methylphenyl)-6,12-diphenyltetracene
CID 162426478

Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine (CID 132541870) is 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine is Cc1ccc(/N=C(\c2ccccc2)c2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(C)ccc4nc3c3ccccc23)cc1.
What is the InChIKey of 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
The InChIKey is JLYRFUSEDGIVBC-SKKHQMBASA-N. The full InChI is InChI=1S/C44H32N2/c1-29-22-25-34(26-23-29)45-43(33-18-10-5-11-19-33)41-35-20-12-13-21-36(35)44-42(40(41)32-16-8-4-9-17-32)39(31-14-6-3-7-15-31)37-28-30(2)24-27-38(37)46-44/h3-28H,1-2H3/b45-43+.
What are the key properties of 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine?
1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine has a molecular weight of 588.75 g/mol, XLogP of 11.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-6,7-diphenylbenzo[c]acridin-5-yl)-N-(4-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 132541870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).