9-phenanthren-9-ylphenanthren-1-ol

C28H18O — CID 88608615

IUPAC9-phenanthren-9-ylphenanthren-1-ol
SMILESOc1cccc2c1cc(-c1cc3ccccc3c3ccccc13)c1ccccc12
InChIInChI=1S/C28H18O/c29-28-15-7-14-24-21-11-4-6-13-23(21)26(17-27(24)28)25-16-18-8-1-2-9-19(18)20-10-3-5-12-22(20)25/h1-17,29H
InChIKeyMTNVMEQLQSVUKD-UHFFFAOYSA-N
MW370.45 g/mol
LogP7.67
Rot. Bonds1

About 9-phenanthren-9-ylphenanthren-1-ol

9-phenanthren-9-ylphenanthren-1-ol (PubChem CID 88608615) has the molecular formula C28H18O and a molecular weight of 370.45 g/mol. Its IUPAC name is 9-phenanthren-9-ylphenanthren-1-ol.

Molecular Properties

Compound Name9-phenanthren-9-ylphenanthren-1-ol
PubChem CID88608615
Molecular FormulaC28H18O
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name9-phenanthren-9-ylphenanthren-1-ol
SMILESOc1cccc2c1cc(-c1cc3ccccc3c3ccccc13)c1ccccc12
InChIInChI=1S/C28H18O/c29-28-15-7-14-24-21-11-4-6-13-23(21)26(17-27(24)28)25-16-18-8-1-2-9-19(18)20-10-3-5-12-22(20)25/h1-17,29H
InChIKeyMTNVMEQLQSVUKD-UHFFFAOYSA-N
XLogP7.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(1-hydroxyphenanthren-9-yl)phenanthren-1-ol
CID 22153904
9-naphthalen-1-ylphenanthrene
CID 20606742
9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805302
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
CID 89295941
9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
heptacen-1-ol
CID 150633624

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-ylphenanthren-1-ol?
The IUPAC name of 9-phenanthren-9-ylphenanthren-1-ol (CID 88608615) is 9-phenanthren-9-ylphenanthren-1-ol.
What is the SMILES notation for 9-phenanthren-9-ylphenanthren-1-ol?
The canonical SMILES for 9-phenanthren-9-ylphenanthren-1-ol is Oc1cccc2c1cc(-c1cc3ccccc3c3ccccc13)c1ccccc12.
What is the InChIKey of 9-phenanthren-9-ylphenanthren-1-ol?
The InChIKey is MTNVMEQLQSVUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O/c29-28-15-7-14-24-21-11-4-6-13-23(21)26(17-27(24)28)25-16-18-8-1-2-9-19(18)20-10-3-5-12-22(20)25/h1-17,29H.
What are the key properties of 9-phenanthren-9-ylphenanthren-1-ol?
9-phenanthren-9-ylphenanthren-1-ol has a molecular weight of 370.45 g/mol, XLogP of 7.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-ylphenanthren-1-ol is sourced from PubChem (CID 88608615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).