2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol

C93H78O18 — CID 157491462

IUPAC2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
SMILESOc1ccc(Cc2c(O)c(Cc3ccc(O)cc3)c3c(Cc4ccc(O)cc4)ccc(O)c3c2O)cc1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3cc(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1.Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1
InChIInChI=1S/3C31H26O6/c32-22-8-1-18(2-9-22)15-21-7-14-27(35)29-28(21)25(16-19-3-10-23(33)11-4-19)30(36)26(31(29)37)17-20-5-12-24(34)13-6-20;32-22-8-1-18(2-9-22)15-21-7-14-25-26(16-19-3-10-23(33)11-4-19)30(36)27(31(37)28(25)29(21)35)17-20-5-12-24(34)13-6-20;32-23-7-1-18(2-8-23)13-21-16-22(14-19-3-9-24(33)10-4-19)30(36)29-26(21)17-28(35)27(31(29)37)15-20-5-11-25(34)12-6-20/h2*1-14,32-37H,15-17H2;1-12,16-17,32-37H,13-15H2
InChIKeyBXIBYAULVUFSDP-UHFFFAOYSA-N
MW1483.63 g/mol
LogP17.54
Rot. Bonds18

About 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol

2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol (PubChem CID 157491462) has the molecular formula C93H78O18 and a molecular weight of 1483.63 g/mol. Its IUPAC name is 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol.

Molecular Properties

Compound Name2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
PubChem CID157491462
Molecular FormulaC93H78O18
Molecular Weight1483.63 g/mol
Exact Mass1482.52
IUPAC Name2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
SMILESOc1ccc(Cc2c(O)c(Cc3ccc(O)cc3)c3c(Cc4ccc(O)cc4)ccc(O)c3c2O)cc1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3cc(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1.Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1
InChIInChI=1S/3C31H26O6/c32-22-8-1-18(2-9-22)15-21-7-14-27(35)29-28(21)25(16-19-3-10-23(33)11-4-19)30(36)26(31(29)37)17-20-5-12-24(34)13-6-20;32-22-8-1-18(2-9-22)15-21-7-14-25-26(16-19-3-10-23(33)11-4-19)30(36)27(31(37)28(25)29(21)35)17-20-5-12-24(34)13-6-20;32-23-7-1-18(2-8-23)13-21-16-22(14-19-3-9-24(33)10-4-19)30(36)29-26(21)17-28(35)27(31(29)37)15-20-5-11-25(34)12-6-20/h2*1-14,32-37H,15-17H2;1-12,16-17,32-37H,13-15H2
InChIKeyBXIBYAULVUFSDP-UHFFFAOYSA-N
XLogP17.54
TPSA364.14 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001483.63
LogP ≤ 517.54
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol with MolForge

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Related Compounds

2,6-bis[(4-hydroxyphenyl)methyl]naphthalene-1,5-diol;2,4,5,7-tetrakis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,6-tris[(4-hydroxyphenyl)methyl]naphthalene-1,5-diol;2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 158639429
2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 129291858
2-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol;2,4,6,8-tetrakis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;2,4,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 158345266
7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129303107
4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;5,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 161148036
2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol
CID 159192114
2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 129291824
2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;2,8-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4,6-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 158111333
4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129291927
5-[[4-[4-[(2,5-dihydroxynaphthalen-1-yl)methyl]phenyl]peroxyphenyl]methyl]-2-[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 129309489
2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
CID 22925950
9-hydroxy-2,6,8-tris[(4-hydroxyphenyl)methyl]-2-methoxycyclopenta[a]naphthalene-1,3-dione
CID 170995384

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol?
The IUPAC name of 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol (CID 157491462) is 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol.
What is the SMILES notation for 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol?
The canonical SMILES for 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol is Oc1ccc(Cc2c(O)c(Cc3ccc(O)cc3)c3c(Cc4ccc(O)cc4)ccc(O)c3c2O)cc1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3cc(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1.Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1.
What is the InChIKey of 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol?
The InChIKey is BXIBYAULVUFSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H26O6/c32-22-8-1-18(2-9-22)15-21-7-14-27(35)29-28(21)25(16-19-3-10-23(33)11-4-19)30(36)26(31(29)37)17-20-5-12-24(34)13-6-20;32-22-8-1-18(2-9-22)15-21-7-14-25-26(16-19-3-10-23(33)11-4-19)30(36)27(31(37)28(25)29(21)35)17-20-5-12-24(34)13-6-20;32-23-7-1-18(2-8-23)13-21-16-22(14-19-3-9-24(33)10-4-19)30(36)29-26(21)17-28(35)27(31(29)37)15-20-5-11-25(34)12-6-20/h2*1-14,32-37H,15-17H2;1-12,16-17,32-37H,13-15H2.
What are the key properties of 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol?
2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol has a molecular weight of 1483.63 g/mol, XLogP of 17.54, 18 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol is sourced from PubChem (CID 157491462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).