9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol

C28H18O2 — CID 22153904

IUPAC9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol
SMILESOc1cccc2c1cc(-c1cc3c(O)cccc3c3ccccc13)c1ccccc12
InChIInChI=1S/C28H18O2/c29-27-13-5-11-21-17-7-1-3-9-19(17)23(15-25(21)27)24-16-26-22(12-6-14-28(26)30)18-8-2-4-10-20(18)24/h1-16,29-30H
InChIKeyZCCMMHILAZTPBV-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.38
Rot. Bonds1

About 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol

9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol (PubChem CID 22153904) has the molecular formula C28H18O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol.

Molecular Properties

Compound Name9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol
PubChem CID22153904
Molecular FormulaC28H18O2
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol
SMILESOc1cccc2c1cc(-c1cc3c(O)cccc3c3ccccc13)c1ccccc12
InChIInChI=1S/C28H18O2/c29-27-13-5-11-21-17-7-1-3-9-19(17)23(15-25(21)27)24-16-26-22(12-6-14-28(26)30)18-8-2-4-10-20(18)24/h1-16,29-30H
InChIKeyZCCMMHILAZTPBV-UHFFFAOYSA-N
XLogP7.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol?
The IUPAC name of 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol (CID 22153904) is 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol.
What is the SMILES notation for 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol?
The canonical SMILES for 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol is Oc1cccc2c1cc(-c1cc3c(O)cccc3c3ccccc13)c1ccccc12.
What is the InChIKey of 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol?
The InChIKey is ZCCMMHILAZTPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2/c29-27-13-5-11-21-17-7-1-3-9-19(17)23(15-25(21)27)24-16-26-22(12-6-14-28(26)30)18-8-2-4-10-20(18)24/h1-16,29-30H.
What are the key properties of 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol?
9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol has a molecular weight of 386.45 g/mol, XLogP of 7.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol is sourced from PubChem (CID 22153904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).