3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione

C48H38N2O6 — CID 71242608

IUPAC3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4c(=O)o3)cc2)cc1
InChIInChI=1S/C48H38N2O6/c1-31-5-13-35(14-6-31)49(36-15-7-32(2)8-16-36)37-17-9-33(10-18-37)45-29-43-44(47(51)55-45)30-46(56-48(43)52)34-11-19-38(20-12-34)50(39-21-25-41(53-3)26-22-39)40-23-27-42(54-4)28-24-40/h5-30H,1-4H3
InChIKeyBVDIQEXBBFVYER-UHFFFAOYSA-N
MW738.84 g/mol
LogP11.65
Rot. Bonds10

About 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione

3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione (PubChem CID 71242608) has the molecular formula C48H38N2O6 and a molecular weight of 738.84 g/mol. Its IUPAC name is 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione.

Molecular Properties

Compound Name3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione
PubChem CID71242608
Molecular FormulaC48H38N2O6
Molecular Weight738.84 g/mol
Exact Mass738.27
IUPAC Name3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4c(=O)o3)cc2)cc1
InChIInChI=1S/C48H38N2O6/c1-31-5-13-35(14-6-31)49(36-15-7-32(2)8-16-36)37-17-9-33(10-18-37)45-29-43-44(47(51)55-45)30-46(56-48(43)52)34-11-19-38(20-12-34)50(39-21-25-41(53-3)26-22-39)40-23-27-42(54-4)28-24-40/h5-30H,1-4H3
InChIKeyBVDIQEXBBFVYER-UHFFFAOYSA-N
XLogP11.65
TPSA85.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.84
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]pyrano[4,3-c]pyran-1,5-dione;3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-6H-pyrano[4,3-c]pyridine-1,5-dione
CID 158864633
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126682549
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine
CID 58855173
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione?
The IUPAC name of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione (CID 71242608) is 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione.
What is the SMILES notation for 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione?
The canonical SMILES for 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4c(=O)o3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione?
The InChIKey is BVDIQEXBBFVYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2O6/c1-31-5-13-35(14-6-31)49(36-15-7-32(2)8-16-36)37-17-9-33(10-18-37)45-29-43-44(47(51)55-45)30-46(56-48(43)52)34-11-19-38(20-12-34)50(39-21-25-41(53-3)26-22-39)40-23-27-42(54-4)28-24-40/h5-30H,1-4H3.
What are the key properties of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione?
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione has a molecular weight of 738.84 g/mol, XLogP of 11.65, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione is sourced from PubChem (CID 71242608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).