4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine

C42H32N6O — CID 3657451

IUPAC4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(Oc4ccc(Nc5nnc(-c6ccc(C)cc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H32N6O/c1-27-11-15-29(16-12-27)39-35-7-3-5-9-37(35)41(47-45-39)43-31-19-23-33(24-20-31)49-34-25-21-32(22-26-34)44-42-38-10-6-4-8-36(38)40(46-48-42)30-17-13-28(2)14-18-30/h3-26H,1-2H3,(H,43,47)(H,44,48)
InChIKeyPPENGJKAEUHEBF-UHFFFAOYSA-N
MW636.76 g/mol
LogP10.80
Rot. Bonds8

About 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine

4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine (PubChem CID 3657451) has the molecular formula C42H32N6O and a molecular weight of 636.76 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
PubChem CID3657451
Molecular FormulaC42H32N6O
Molecular Weight636.76 g/mol
Exact Mass636.26
IUPAC Name4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(Oc4ccc(Nc5nnc(-c6ccc(C)cc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H32N6O/c1-27-11-15-29(16-12-27)39-35-7-3-5-9-37(35)41(47-45-39)43-31-19-23-33(24-20-31)49-34-25-21-32(22-26-34)44-42-38-10-6-4-8-36(38)40(46-48-42)30-17-13-28(2)14-18-30/h3-26H,1-2H3,(H,43,47)(H,44,48)
InChIKeyPPENGJKAEUHEBF-UHFFFAOYSA-N
XLogP10.80
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 510.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine with MolForge

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Related Compounds

N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
2-[4-[4-(4-methylanilino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone
CID 6406985
methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate;methyl 4-[4-(4-methylanilino)phthalazin-1-yl]benzoate
CID 162135819
methyl 2-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenoxy]acetate
CID 5292441
N-[4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-(4-methylphenyl)phthalazin-1-amine
CID 68748384
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
1-(4-chlorophenyl)-4-(4-methylphenoxy)phthalazine
CID 6407120
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 67318157
4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 3142176
methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate
CID 56949020
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
CID 1417554

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine (CID 3657451) is 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine is Cc1ccc(-c2nnc(Nc3ccc(Oc4ccc(Nc5nnc(-c6ccc(C)cc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine?
The InChIKey is PPENGJKAEUHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N6O/c1-27-11-15-29(16-12-27)39-35-7-3-5-9-37(35)41(47-45-39)43-31-19-23-33(24-20-31)49-34-25-21-32(22-26-34)44-42-38-10-6-4-8-36(38)40(46-48-42)30-17-13-28(2)14-18-30/h3-26H,1-2H3,(H,43,47)(H,44,48).
What are the key properties of 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine?
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine has a molecular weight of 636.76 g/mol, XLogP of 10.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine is sourced from PubChem (CID 3657451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).