2-(9-methylfluoren-9-yl)phenanthren-9-ol

C28H20O — CID 122488888

IUPAC2-(9-methylfluoren-9-yl)phenanthren-9-ol
SMILESCC1(c2ccc3c(c2)cc(O)c2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H20O/c1-28(25-12-6-4-9-22(25)23-10-5-7-13-26(23)28)19-14-15-20-18(16-19)17-27(29)24-11-3-2-8-21(20)24/h2-17,29H,1H3
InChIKeyGTLMISQXNNEUHS-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.03
Rot. Bonds1

About 2-(9-methylfluoren-9-yl)phenanthren-9-ol

2-(9-methylfluoren-9-yl)phenanthren-9-ol (PubChem CID 122488888) has the molecular formula C28H20O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(9-methylfluoren-9-yl)phenanthren-9-ol.

Molecular Properties

Compound Name2-(9-methylfluoren-9-yl)phenanthren-9-ol
PubChem CID122488888
Molecular FormulaC28H20O
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC Name2-(9-methylfluoren-9-yl)phenanthren-9-ol
SMILESCC1(c2ccc3c(c2)cc(O)c2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H20O/c1-28(25-12-6-4-9-22(25)23-10-5-7-13-26(23)28)19-14-15-20-18(16-19)17-27(29)24-11-3-2-8-21(20)24/h2-17,29H,1H3
InChIKeyGTLMISQXNNEUHS-UHFFFAOYSA-N
XLogP7.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(9-methylfluoren-9-yl)phenanthren-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 156734625
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
9-methyl-9-phenylfluoren-4-ol
CID 139484121
(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid
CID 169023399
3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
CID 69231580
ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene
CID 159904339
9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)phenanthrene
CID 123587872
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 165158441
20,20-dimethylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14,16,18,21,23-dodecaene
CID 123610165
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylfluoren-9-yl)phenanthren-9-ol?
The IUPAC name of 2-(9-methylfluoren-9-yl)phenanthren-9-ol (CID 122488888) is 2-(9-methylfluoren-9-yl)phenanthren-9-ol.
What is the SMILES notation for 2-(9-methylfluoren-9-yl)phenanthren-9-ol?
The canonical SMILES for 2-(9-methylfluoren-9-yl)phenanthren-9-ol is CC1(c2ccc3c(c2)cc(O)c2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9-methylfluoren-9-yl)phenanthren-9-ol?
The InChIKey is GTLMISQXNNEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O/c1-28(25-12-6-4-9-22(25)23-10-5-7-13-26(23)28)19-14-15-20-18(16-19)17-27(29)24-11-3-2-8-21(20)24/h2-17,29H,1H3.
What are the key properties of 2-(9-methylfluoren-9-yl)phenanthren-9-ol?
2-(9-methylfluoren-9-yl)phenanthren-9-ol has a molecular weight of 372.47 g/mol, XLogP of 7.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylfluoren-9-yl)phenanthren-9-ol is sourced from PubChem (CID 122488888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).