7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol

C43H28N2O25 — CID 163611156

About 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol

7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol (PubChem CID 163611156) has the molecular formula C43H28N2O25 and a molecular weight of 972.69 g/mol. Its IUPAC name is 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol.

Molecular Properties

• Compound Name: 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
• PubChem CID: 163611156
• Molecular Formula: C43H28N2O25
• Molecular Weight: 972.69 g/mol
• Exact Mass: 972.10
• IUPAC Name: 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
• SMILES: NC1(N)c2c(O)c(O)c(O)c(O)c2-c2c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c(O)c5oc6c7c(O)c(O)c(O)c(O)c7c(O)c(O)c6c45)c4c(O)c(O)c(O)c(O)c34)c(O)c(O)c(O)c21
• InChI: InChI=1S/C43H28N2O25/c44-43(45)15-3(11-16(43)29(58)39(68)35(64)23(11)52)4(17(46)30(59)28(15)57)1-5-7(20(49)33(62)31(60)18(5)47)2(8-6(1)19(48)32(61)34(63)21(8)50)9-10-13-26(55)24(53)12-14(27(56)37(66)36(65)25(12)54)41(13)70-42(10)40(69)38(67)22(9)51/h46-69H,44-45H2
• InChIKey: HGALLVNVOICUJF-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 550.70 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	972.69
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

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

The IUPAC name of 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol (CID 163611156) is 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol.

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

The canonical SMILES for 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol is NC1(N)c2c(O)c(O)c(O)c(O)c2-c2c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c(O)c5oc6c7c(O)c(O)c(O)c(O)c7c(O)c(O)c6c45)c4c(O)c(O)c(O)c(O)c34)c(O)c(O)c(O)c21.

What is the InChIKey of 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?

The InChIKey is HGALLVNVOICUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O25/c44-43(45)15-3(11-16(43)29(58)39(68)35(64)23(11)52)4(17(46)30(59)28(15)57)1-5-7(20(49)33(62)31(60)18(5)47)2(8-6(1)19(48)32(61)34(63)21(8)50)9-10-13-26(55)24(53)12-14(27(56)37(66)36(65)25(12)54)41(13)70-42(10)40(69)38(67)22(9)51/h46-69H,44-45H2.

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

7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol has a molecular weight of 972.69 g/mol, XLogP of 3.41, 2 rotatable bonds, 26 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(9,9-diamino-1,2,3,5,6,7,8-heptahydroxyfluoren-4-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol is sourced from PubChem (CID 163611156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).