3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione

C36H25NO4 — CID 118655370

IUPAC3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
SMILESCc1ccccc1N(c1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1)c1ccccc1C
InChIInChI=1S/C36H25NO4/c1-22-10-6-8-14-29(22)37(30-15-9-7-11-23(30)2)26-18-16-25(17-19-26)34-28-21-31-27(20-32(28)41-36(34)39)33(35(38)40-31)24-12-4-3-5-13-24/h3-21H,1-2H3
InChIKeyYGWPYMOYOGUEBR-UHFFFAOYSA-N
MW535.60 g/mol
LogP6.01
Rot. Bonds5

About 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione

3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione (PubChem CID 118655370) has the molecular formula C36H25NO4 and a molecular weight of 535.60 g/mol. Its IUPAC name is 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione.

Molecular Properties

Compound Name3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
PubChem CID118655370
Molecular FormulaC36H25NO4
Molecular Weight535.60 g/mol
Exact Mass535.18
IUPAC Name3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
SMILESCc1ccccc1N(c1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1)c1ccccc1C
InChIInChI=1S/C36H25NO4/c1-22-10-6-8-14-29(22)37(30-15-9-7-11-23(30)2)26-18-16-25(17-19-26)34-28-21-31-27(20-32(28)41-36(34)39)33(35(38)40-31)24-12-4-3-5-13-24/h3-21H,1-2H3
InChIKeyYGWPYMOYOGUEBR-UHFFFAOYSA-N
XLogP6.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione with MolForge

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Related Compounds

3-tert-butyl-7-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-2,6-dione
CID 118655372
3-(4-hydroxyphenyl)-7-(4-phenylphenyl)furo[2,3-f][1]benzofuran-2,6-dione
CID 148598545
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121322879
N-[4-[3,5-bis[4-(N-(2-ethylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 20688280
3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
CID 14028800
3-[3-butyl-4-(ethylamino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
CID 54199112
6-N,16-N-bis(2-methylphenyl)-6-N,16-N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031866
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
6-N,17-N-bis(2-methylphenyl)-6-N,17-N-bis(4-methylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166032569
N,4-diphenyl-N-[4-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline;2-methyl-N-[4-[6-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-(2-methylphenyl)aniline;2-methyl-N-[4-[6-[4-(N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline;bis(4-methyl-N-[4-[6-[4-(N-(4-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline)
CID 157494177
2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
CID 142500531
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The IUPAC name of 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione (CID 118655370) is 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione.
What is the SMILES notation for 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The canonical SMILES for 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione is Cc1ccccc1N(c1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1)c1ccccc1C.
What is the InChIKey of 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The InChIKey is YGWPYMOYOGUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO4/c1-22-10-6-8-14-29(22)37(30-15-9-7-11-23(30)2)26-18-16-25(17-19-26)34-28-21-31-27(20-32(28)41-36(34)39)33(35(38)40-31)24-12-4-3-5-13-24/h3-21H,1-2H3.
What are the key properties of 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione has a molecular weight of 535.60 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione is sourced from PubChem (CID 118655370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).