9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol

C60H36O17 — CID 174275556

IUPAC9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c(-c2c(O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c(O)c(O)c(O)c(O)c34)c(O)c2O)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1O
InChIInChI=1S/C60H36O17/c61-45-35(23-13-16-29-27-11-4-3-9-25(27)26-10-5-6-12-28(26)30(29)19-23)40(48(64)58(74)55(45)71)44-53(69)51(67)43(52(68)54(44)70)37-41-38(46(62)56(72)59(75)49(41)65)34(39-42(37)50(66)60(76)57(73)47(39)63)22-15-17-32-31(20-22)36-24-8-2-1-7-21(24)14-18-33(36)77-32/h1-20,61-76H
InChIKeyBIORTMYFZJVYIX-UHFFFAOYSA-N
MW1028.93 g/mol
LogP12.46
Rot. Bonds4

About 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol

9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 174275556) has the molecular formula C60H36O17 and a molecular weight of 1028.93 g/mol. Its IUPAC name is 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
PubChem CID174275556
Molecular FormulaC60H36O17
Molecular Weight1028.93 g/mol
Exact Mass1028.20
IUPAC Name9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c(-c2c(O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c(O)c(O)c(O)c(O)c34)c(O)c2O)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1O
InChIInChI=1S/C60H36O17/c61-45-35(23-13-16-29-27-11-4-3-9-25(27)26-10-5-6-12-28(26)30(29)19-23)40(48(64)58(74)55(45)71)44-53(69)51(67)43(52(68)54(44)70)37-41-38(46(62)56(72)59(75)49(41)65)34(39-42(37)50(66)60(76)57(73)47(39)63)22-15-17-32-31(20-22)36-24-8-2-1-7-21(24)14-18-33(36)77-32/h1-20,61-76H
InChIKeyBIORTMYFZJVYIX-UHFFFAOYSA-N
XLogP12.46
TPSA336.82 Ų
H-Bond Donors16
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001028.93
LogP ≤ 512.46
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1017

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol with MolForge

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Related Compounds

9-naphtho[2,1-b][1]benzofuran-10-yl-10-(4-phenanthren-2-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163441692
9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163785389
9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163468306
9-naphthalen-1-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 160732184
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 163801714
6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 160775990
9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 158620166
16-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 174289738
CID 170723482
CID 170723482
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907

Frequently Asked Questions

What is the IUPAC name of 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol (CID 174275556) is 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c(-c2c(O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c(O)c(O)c(O)c(O)c34)c(O)c2O)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1O.
What is the InChIKey of 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is BIORTMYFZJVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O17/c61-45-35(23-13-16-29-27-11-4-3-9-25(27)26-10-5-6-12-28(26)30(29)19-23)40(48(64)58(74)55(45)71)44-53(69)51(67)43(52(68)54(44)70)37-41-38(46(62)56(72)59(75)49(41)65)34(39-42(37)50(66)60(76)57(73)47(39)63)22-15-17-32-31(20-22)36-24-8-2-1-7-21(24)14-18-33(36)77-32/h1-20,61-76H.
What are the key properties of 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol?
9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 1028.93 g/mol, XLogP of 12.46, 4 rotatable bonds, 16 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 174275556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).