8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione

C34H25NO6 — CID 25111915

IUPAC8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc4ccccc4c1)=CC3=O)C2=O
InChIInChI=1S/C34H25NO6/c1-17-11-23-30(28(12-17)40-3)27(37)15-24(32(23)38)29-18(2)13-22-26(36)16-25(33(39)31(22)34(29)41-4)35-21-10-9-19-7-5-6-8-20(19)14-21/h5-16,35H,1-4H3
InChIKeyPFBBDXSFRRARHR-UHFFFAOYSA-N
MW543.58 g/mol
LogP6.31
Rot. Bonds5

About 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione

8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione (PubChem CID 25111915) has the molecular formula C34H25NO6 and a molecular weight of 543.58 g/mol. Its IUPAC name is 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione
PubChem CID25111915
Molecular FormulaC34H25NO6
Molecular Weight543.58 g/mol
Exact Mass543.17
IUPAC Name8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc4ccccc4c1)=CC3=O)C2=O
InChIInChI=1S/C34H25NO6/c1-17-11-23-30(28(12-17)40-3)27(37)15-24(32(23)38)29-18(2)13-22-26(36)16-25(33(39)31(22)34(29)41-4)35-21-10-9-19-7-5-6-8-20(19)14-21/h5-16,35H,1-4H3
InChIKeyPFBBDXSFRRARHR-UHFFFAOYSA-N
XLogP6.31
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione?
The IUPAC name of 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione (CID 25111915) is 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione.
What is the SMILES notation for 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione?
The canonical SMILES for 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione is COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc4ccccc4c1)=CC3=O)C2=O.
What is the InChIKey of 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione?
The InChIKey is PFBBDXSFRRARHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO6/c1-17-11-23-30(28(12-17)40-3)27(37)15-24(32(23)38)29-18(2)13-22-26(36)16-25(33(39)31(22)34(29)41-4)35-21-10-9-19-7-5-6-8-20(19)14-21/h5-16,35H,1-4H3.
What are the key properties of 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione?
8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione has a molecular weight of 543.58 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-2-(naphthalen-2-ylamino)naphthalene-1,4-dione is sourced from PubChem (CID 25111915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).