2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene

C27H19ClOS — CID 172559593

IUPAC2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene
SMILESCc1ccc(S(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3c3ccccc23)cc1
InChIInChI=1S/C27H19ClOS/c1-18-11-14-21(15-12-18)30(29)27-24-10-6-5-9-22(24)23-16-13-20(28)17-25(23)26(27)19-7-3-2-4-8-19/h2-17H,1H3
InChIKeyWMBNWNDCJOYCRC-UHFFFAOYSA-N
MW426.97 g/mol
LogP7.79
Rot. Bonds3

About 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene

2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene (PubChem CID 172559593) has the molecular formula C27H19ClOS and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene.

Molecular Properties

Compound Name2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene
PubChem CID172559593
Molecular FormulaC27H19ClOS
Molecular Weight426.97 g/mol
Exact Mass426.08
IUPAC Name2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene
SMILESCc1ccc(S(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3c3ccccc23)cc1
InChIInChI=1S/C27H19ClOS/c1-18-11-14-21(15-12-18)30(29)27-24-10-6-5-9-22(24)23-16-13-20(28)17-25(23)26(27)19-7-3-2-4-8-19/h2-17H,1H3
InChIKeyWMBNWNDCJOYCRC-UHFFFAOYSA-N
XLogP7.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.97
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene 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

9-(4-chlorophenyl)-10-(4-methylphenyl)sulfinylphenanthrene
CID 172559580
1-fluoro-3-(4-methylphenyl)sulfinyl-2-phenylbenzene
CID 119025559
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-chloro-6,12-diphenylchrysene
CID 58501171
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
9-chloro-2,6-dimethyl-10-phenylanthracene
CID 58351152
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237
2-chloro-9,10-bis(4-propylphenyl)anthracene
CID 22715362
1,6-dichloro-3,4-diphenylisoquinoline
CID 102204844
6-chloro-3-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1H-quinolin-2-one
CID 118677166
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene?
The IUPAC name of 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene (CID 172559593) is 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene.
What is the SMILES notation for 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene?
The canonical SMILES for 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene is Cc1ccc(S(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3c3ccccc23)cc1.
What is the InChIKey of 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene?
The InChIKey is WMBNWNDCJOYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClOS/c1-18-11-14-21(15-12-18)30(29)27-24-10-6-5-9-22(24)23-16-13-20(28)17-25(23)26(27)19-7-3-2-4-8-19/h2-17H,1H3.
What are the key properties of 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene?
2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene has a molecular weight of 426.97 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(4-methylphenyl)sulfinyl-10-phenylphenanthrene is sourced from PubChem (CID 172559593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).