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

C96H77N5O13 — CID 158864633

IUPAC3-[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
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1.COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)o3)cc2)cc1
InChIInChI=1S/C48H39N3O6.C48H38N2O7/c1-31-5-11-34(12-6-31)50(37-17-23-40(54-2)24-18-37)35-13-7-32(8-14-35)45-29-44-43(47(52)49-45)30-46(57-48(44)53)33-9-15-36(16-10-33)51(38-19-25-41(55-3)26-20-38)39-21-27-42(56-4)28-22-39;1-31-5-11-34(12-6-31)49(37-17-23-40(53-2)24-18-37)35-13-7-32(8-14-35)45-29-43-44(47(51)56-45)30-46(57-48(43)52)33-9-15-36(16-10-33)50(38-19-25-41(54-3)26-20-38)39-21-27-42(55-4)28-22-39/h5-30H,1-4H3,(H,49,52);5-30H,1-4H3
InChIKeyJBBOYEVJFGYTHF-UHFFFAOYSA-N
MW1508.69 g/mol
LogP22.44
Rot. Bonds22

About 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

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 (PubChem CID 158864633) has the molecular formula C96H77N5O13 and a molecular weight of 1508.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158864633
Molecular FormulaC96H77N5O13
Molecular Weight1508.69 g/mol
Exact Mass1507.55
IUPAC Name3-[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
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1.COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)o3)cc2)cc1
InChIInChI=1S/C48H39N3O6.C48H38N2O7/c1-31-5-11-34(12-6-31)50(37-17-23-40(54-2)24-18-37)35-13-7-32(8-14-35)45-29-44-43(47(52)49-45)30-46(57-48(44)53)33-9-15-36(16-10-33)51(38-19-25-41(55-3)26-20-38)39-21-27-42(56-4)28-22-39;1-31-5-11-34(12-6-31)49(37-17-23-40(53-2)24-18-37)35-13-7-32(8-14-35)45-29-43-44(47(51)56-45)30-46(57-48(43)52)33-9-15-36(16-10-33)50(38-19-25-41(54-3)26-20-38)39-21-27-42(55-4)28-22-39/h5-30H,1-4H3,(H,49,52);5-30H,1-4H3
InChIKeyJBBOYEVJFGYTHF-UHFFFAOYSA-N
XLogP22.44
TPSA191.83 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.69
LogP ≤ 522.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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
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
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
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
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
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
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1.COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)oc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)o3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is JBBOYEVJFGYTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N3O6.C48H38N2O7/c1-31-5-11-34(12-6-31)50(37-17-23-40(54-2)24-18-37)35-13-7-32(8-14-35)45-29-44-43(47(52)49-45)30-46(57-48(44)53)33-9-15-36(16-10-33)51(38-19-25-41(55-3)26-20-38)39-21-27-42(56-4)28-22-39;1-31-5-11-34(12-6-31)49(37-17-23-40(53-2)24-18-37)35-13-7-32(8-14-35)45-29-43-44(47(51)56-45)30-46(57-48(43)52)33-9-15-36(16-10-33)50(38-19-25-41(54-3)26-20-38)39-21-27-42(55-4)28-22-39/h5-30H,1-4H3,(H,49,52);5-30H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1508.69 g/mol, XLogP of 22.44, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158864633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).