10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol

C43H26O27 — CID 163621959

About 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol

10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol (PubChem CID 163621959) has the molecular formula C43H26O27 and a molecular weight of 974.65 g/mol. Its IUPAC name is 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol.

Molecular Properties

• Compound Name: 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol
• PubChem CID: 163621959
• Molecular Formula: C43H26O27
• Molecular Weight: 974.65 g/mol
• Exact Mass: 974.07
• IUPAC Name: 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol
• SMILES: Oc1c(O)c(O)c2c(c1O)-c1c(O)c(O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c(O)c7c(O)c(O)c(O)c(O)c7c6c5c4O)c4c(O)c(O)c(O)c(O)c34)c1C2(O)O
• InChI: InChI=1S/C43H26O27/c44-17-12(27(54)40(67)42-14(17)8-7-13(28(55)39(66)41(8)70-42)26(53)37(64)35(62)22(7)49)2-5-3(18(45)31(58)33(60)20(5)47)1(4-6(2)21(48)34(61)32(59)19(4)46)9-15-10(24(51)30(57)23(9)50)11-16(43(15,68)69)29(56)38(65)36(63)25(11)52/h44-69H
• InChIKey: HOWGWEVYOHBYNK-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 539.12 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 27
• Rotatable Bonds: 2
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.65
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol?

The IUPAC name of 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol (CID 163621959) is 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol.

What is the SMILES notation for 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol?

The canonical SMILES for 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol is Oc1c(O)c(O)c2c(c1O)-c1c(O)c(O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c(O)c7c(O)c(O)c(O)c(O)c7c6c5c4O)c4c(O)c(O)c(O)c(O)c34)c1C2(O)O.

What is the InChIKey of 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol?

The InChIKey is HOWGWEVYOHBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26O27/c44-17-12(27(54)40(67)42-14(17)8-7-13(28(55)39(66)41(8)70-42)26(53)37(64)35(62)22(7)49)2-5-3(18(45)31(58)33(60)20(5)47)1(4-6(2)21(48)34(61)32(59)19(4)46)9-15-10(24(51)30(57)23(9)50)11-16(43(15,68)69)29(56)38(65)36(63)25(11)52/h44-69H.

What are the key properties of 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol?

10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol has a molecular weight of 974.65 g/mol, XLogP of 3.48, 2 rotatable bonds, 26 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol is sourced from PubChem (CID 163621959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).