(3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol

C57H42O4 — CID 144837448

About (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol

(3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol (PubChem CID 144837448) has the molecular formula C57H42O4 and a molecular weight of 790.96 g/mol. Its IUPAC name is (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol
• PubChem CID: 144837448
• Molecular Formula: C57H42O4
• Molecular Weight: 790.96 g/mol
• Exact Mass: 790.31
• IUPAC Name: (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol
• SMILES: C=C(O)/C(O)=C(O)\C(O)=C(/C)c1c2ccccc2c(-c2ccc3cccc(-c4cc(-c5ccc6ccccc6c5)cc(C5C=c6ccccc6=CC5)c4)c3c2)c2ccccc12
• InChI: InChI=1S/C57H42O4/c1-34(55(59)57(61)56(60)35(2)58)53-48-17-7-9-19-50(48)54(51-20-10-8-18-49(51)53)43-27-24-38-16-11-21-47(52(38)33-43)46-31-44(41-25-22-36-12-3-5-14-39(36)28-41)30-45(32-46)42-26-23-37-13-4-6-15-40(37)29-42/h3-25,27-33,42,58-61H,2,26H2,1H3/b55-34-,57-56-
• InChIKey: ZFXNXEIJQZIFHN-ZVQZDYMFSA-N
• XLogP: 13.74
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.96
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol?

The IUPAC name of (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol (CID 144837448) is (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol.

What is the SMILES notation for (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol?

The canonical SMILES for (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol is C=C(O)/C(O)=C(O)\C(O)=C(/C)c1c2ccccc2c(-c2ccc3cccc(-c4cc(-c5ccc6ccccc6c5)cc(C5C=c6ccccc6=CC5)c4)c3c2)c2ccccc12.

What is the InChIKey of (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol?

The InChIKey is ZFXNXEIJQZIFHN-ZVQZDYMFSA-N. The full InChI is InChI=1S/C57H42O4/c1-34(55(59)57(61)56(60)35(2)58)53-48-17-7-9-19-50(48)54(51-20-10-8-18-49(51)53)43-27-24-38-16-11-21-47(52(38)33-43)46-31-44(41-25-22-36-12-3-5-14-39(36)28-41)30-45(32-46)42-26-23-37-13-4-6-15-40(37)29-42/h3-25,27-33,42,58-61H,2,26H2,1H3/b55-34-,57-56-.

What are the key properties of (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol?

(3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol has a molecular weight of 790.96 g/mol, XLogP of 13.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol is sourced from PubChem (CID 144837448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).