(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene

C26H19Cl — CID 144785467

IUPAC(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
SMILESClc1ccc(-c2ccc3c(c2)-c2ccccc2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C26H19Cl/c27-22-14-12-18(13-15-22)20-10-11-21-17-25(19-6-2-1-3-7-19)23-8-4-5-9-24(23)26(21)16-20/h1-16,25H,17H2/t25-/m0/s1
InChIKeyOBHKTRSAUMNQPH-VWLOTQADSA-N
MW366.89 g/mol
LogP7.36
Rot. Bonds2

About (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene

(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene (PubChem CID 144785467) has the molecular formula C26H19Cl and a molecular weight of 366.89 g/mol. Its IUPAC name is (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
PubChem CID144785467
Molecular FormulaC26H19Cl
Molecular Weight366.89 g/mol
Exact Mass366.12
IUPAC Name(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
SMILESClc1ccc(-c2ccc3c(c2)-c2ccccc2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C26H19Cl/c27-22-14-12-18(13-15-22)20-10-11-21-17-25(19-6-2-1-3-7-19)23-8-4-5-9-24(23)26(21)16-20/h1-16,25H,17H2/t25-/m0/s1
InChIKeyOBHKTRSAUMNQPH-VWLOTQADSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene?
The IUPAC name of (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene (CID 144785467) is (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene.
What is the SMILES notation for (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene?
The canonical SMILES for (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene is Clc1ccc(-c2ccc3c(c2)-c2ccccc2[C@H](c2ccccc2)C3)cc1.
What is the InChIKey of (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene?
The InChIKey is OBHKTRSAUMNQPH-VWLOTQADSA-N. The full InChI is InChI=1S/C26H19Cl/c27-22-14-12-18(13-15-22)20-10-11-21-17-25(19-6-2-1-3-7-19)23-8-4-5-9-24(23)26(21)16-20/h1-16,25H,17H2/t25-/m0/s1.
What are the key properties of (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene?
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene has a molecular weight of 366.89 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene is sourced from PubChem (CID 144785467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).