1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine

C28H22Br2N2 — CID 2189393

IUPAC1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
SMILESCc1cc(-c2ccc(/N=C/c3ccc(Br)cc3)c(C)c2)ccc1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C28H22Br2N2/c1-19-15-23(7-13-27(19)31-17-21-3-9-25(29)10-4-21)24-8-14-28(20(2)16-24)32-18-22-5-11-26(30)12-6-22/h3-18H,1-2H3/b31-17+,32-18+
InChIKeyIXDSZYPYYKPGRQ-LTTYKRRRSA-N
MW546.31 g/mol
LogP9.00
Rot. Bonds5

About 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine

1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine (PubChem CID 2189393) has the molecular formula C28H22Br2N2 and a molecular weight of 546.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
PubChem CID2189393
Molecular FormulaC28H22Br2N2
Molecular Weight546.31 g/mol
Exact Mass544.01
IUPAC Name1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
SMILESCc1cc(-c2ccc(/N=C/c3ccc(Br)cc3)c(C)c2)ccc1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C28H22Br2N2/c1-19-15-23(7-13-27(19)31-17-21-3-9-25(29)10-4-21)24-8-14-28(20(2)16-24)32-18-22-5-11-26(30)12-6-22/h3-18H,1-2H3/b31-17+,32-18+
InChIKeyIXDSZYPYYKPGRQ-LTTYKRRRSA-N
XLogP9.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.31
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine (CID 2189393) is 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine is Cc1cc(-c2ccc(/N=C/c3ccc(Br)cc3)c(C)c2)ccc1/N=C/c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
The InChIKey is IXDSZYPYYKPGRQ-LTTYKRRRSA-N. The full InChI is InChI=1S/C28H22Br2N2/c1-19-15-23(7-13-27(19)31-17-21-3-9-25(29)10-4-21)24-8-14-28(20(2)16-24)32-18-22-5-11-26(30)12-6-22/h3-18H,1-2H3/b31-17+,32-18+.
What are the key properties of 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine has a molecular weight of 546.31 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine is sourced from PubChem (CID 2189393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).