5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol

C34H24O2 — CID 150168227

IUPAC5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol
SMILESOc1cccc2c(C3(c4cccc5c(O)cccc45)c4ccccc4Cc4ccccc43)cccc12
InChIInChI=1S/C34H24O2/c35-32-19-7-11-24-26(32)13-5-17-30(24)34(31-18-6-14-27-25(31)12-8-20-33(27)36)28-15-3-1-9-22(28)21-23-10-2-4-16-29(23)34/h1-20,35-36H,21H2
InChIKeyFIVZRYOEBGPALU-UHFFFAOYSA-N
MW464.56 g/mol
LogP7.69
Rot. Bonds2

About 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol

5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol (PubChem CID 150168227) has the molecular formula C34H24O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol
PubChem CID150168227
Molecular FormulaC34H24O2
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC Name5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol
SMILESOc1cccc2c(C3(c4cccc5c(O)cccc45)c4ccccc4Cc4ccccc43)cccc12
InChIInChI=1S/C34H24O2/c35-32-19-7-11-24-26(32)13-5-17-30(24)34(31-18-6-14-27-25(31)12-8-20-33(27)36)28-15-3-1-9-22(28)21-23-10-2-4-16-29(23)34/h1-20,35-36H,21H2
InChIKeyFIVZRYOEBGPALU-UHFFFAOYSA-N
XLogP7.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol?
The IUPAC name of 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol (CID 150168227) is 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol.
What is the SMILES notation for 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol?
The canonical SMILES for 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol is Oc1cccc2c(C3(c4cccc5c(O)cccc45)c4ccccc4Cc4ccccc43)cccc12.
What is the InChIKey of 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol?
The InChIKey is FIVZRYOEBGPALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O2/c35-32-19-7-11-24-26(32)13-5-17-30(24)34(31-18-6-14-27-25(31)12-8-20-33(27)36)28-15-3-1-9-22(28)21-23-10-2-4-16-29(23)34/h1-20,35-36H,21H2.
What are the key properties of 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol?
5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol has a molecular weight of 464.56 g/mol, XLogP of 7.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol is sourced from PubChem (CID 150168227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).