9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol

C42H27NO26 — CID 163555839

About 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol

9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163555839) has the molecular formula C42H27NO26 and a molecular weight of 961.66 g/mol. Its IUPAC name is 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

• Compound Name: 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol
• PubChem CID: 163555839
• Molecular Formula: C42H27NO26
• Molecular Weight: 961.66 g/mol
• Exact Mass: 961.08
• IUPAC Name: 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol
• SMILES: Oc1c(O)c(-c2c(O)c(O)c(O)c3c(O)c(O)c(O)c(O)c23)c(O)c(-c2c3c(O)c(O)c(O)c(O)c3c(-c3c(O)c(O)c(O)c4[nH]c5c(O)c(O)c(O)c(O)c5c34)c3c(O)c(O)c(O)c(O)c23)c1O
• InChI: InChI=1S/C42H27NO26/c44-17-12(26(53)33(60)27(54)13(17)9-10-14(28(55)32(59)23(9)50)29(56)41(68)39(66)24(10)51)2-7-5(19(46)35(62)37(64)21(7)48)1(6-8(2)22(49)38(65)36(63)20(6)47)4-3-11-16(31(58)42(69)40(67)25(11)52)43-15(3)30(57)34(61)18(4)45/h43-69H
• InChIKey: FMYWGKAMPJXZPY-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 541.77 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 26
• Rotatable Bonds: 3
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	961.66
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol?

The IUPAC name of 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol (CID 163555839) is 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol.

What is the SMILES notation for 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol?

The canonical SMILES for 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(-c2c(O)c(O)c(O)c3c(O)c(O)c(O)c(O)c23)c(O)c(-c2c3c(O)c(O)c(O)c(O)c3c(-c3c(O)c(O)c(O)c4[nH]c5c(O)c(O)c(O)c(O)c5c34)c3c(O)c(O)c(O)c(O)c23)c1O.

What is the InChIKey of 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol?

The InChIKey is FMYWGKAMPJXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO26/c44-17-12(26(53)33(60)27(54)13(17)9-10-14(28(55)32(59)23(9)50)29(56)41(68)39(66)24(10)51)2-7-5(19(46)35(62)37(64)21(7)48)1(6-8(2)22(49)38(65)36(63)20(6)47)4-3-11-16(31(58)42(69)40(67)25(11)52)43-15(3)30(57)34(61)18(4)45/h43-69H.

What are the key properties of 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol?

9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 961.66 g/mol, XLogP of 4.13, 3 rotatable bonds, 27 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163555839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).