1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol

C14H10O — CID 71751562

IUPAC1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c(O)c([2H])c([2H])c12
InChIInChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKeyYPWLZGITFNGGKW-LOIXRAQWSA-N
MW203.29 g/mol
LogP3.70
Rot. Bonds

About 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol

1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol (PubChem CID 71751562) has the molecular formula C14H10O and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol.

Molecular Properties

Compound Name1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol
PubChem CID71751562
Molecular FormulaC14H10O
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c(O)c([2H])c([2H])c12
InChIInChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKeyYPWLZGITFNGGKW-LOIXRAQWSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.70
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

trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane
CID 141327183
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]phenanthrene
CID 153474318
1,2,3,4,5,6,8,9,10,11,12-undecadeuterio-7-triphenylen-2-ylbenzo[a]anthracene
CID 177071805
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthrene
CID 155641757
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,6,7,8-heptadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenanthrene
CID 166571573
4,5,6,7,11,12,16,17,18,19-decadeuterio-9,14-bis(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 172545489
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,6,7,8-heptadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenanthrene
CID 166571677
1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline
CID 15555077
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthrene
CID 155641750
2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-ol
CID 12986428
1,2,3,4,5,6,8,9,10,11,12-undecadeuterio-7-[2-[3-(1,2,3,4,5,6,8,9,10,11,12-undecadeuteriobenzo[a]anthracen-7-yl)phenyl]phenyl]benzo[a]anthracene
CID 177072005
1,2,3,4,5,6,8,9,11-nonadeuterio-10-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 153473402

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol?
The IUPAC name of 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol (CID 71751562) is 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol.
What is the SMILES notation for 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol?
The canonical SMILES for 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol is [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c(O)c([2H])c([2H])c12.
What is the InChIKey of 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol?
The InChIKey is YPWLZGITFNGGKW-LOIXRAQWSA-N. The full InChI is InChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D.
What are the key properties of 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol?
1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol has a molecular weight of 203.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol is sourced from PubChem (CID 71751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).