2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]

C31H19ClO — CID 166844508

IUPAC2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
SMILESClc1cc2c(cc1-c1ccccc1)Oc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H19ClO/c32-28-19-27-30(18-23(28)20-10-2-1-3-11-20)33-29-17-9-8-16-26(29)31(27)24-14-6-4-12-21(24)22-13-5-7-15-25(22)31/h1-19H
InChIKeyWCQJHYHUFJDKQV-UHFFFAOYSA-N
MW442.95 g/mol
LogP8.48
Rot. Bonds1

About 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]

2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene] (PubChem CID 166844508) has the molecular formula C31H19ClO and a molecular weight of 442.95 g/mol. Its IUPAC name is 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
PubChem CID166844508
Molecular FormulaC31H19ClO
Molecular Weight442.95 g/mol
Exact Mass442.11
IUPAC Name2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
SMILESClc1cc2c(cc1-c1ccccc1)Oc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H19ClO/c32-28-19-27-30(18-23(28)20-10-2-1-3-11-20)33-29-17-9-8-16-26(29)31(27)24-14-6-4-12-21(24)22-13-5-7-15-25(22)31/h1-19H
InChIKeyWCQJHYHUFJDKQV-UHFFFAOYSA-N
XLogP8.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene] 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

2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240643
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167177152
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene] (CID 166844508) is 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene] is Clc1cc2c(cc1-c1ccccc1)Oc1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]?
The InChIKey is WCQJHYHUFJDKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClO/c32-28-19-27-30(18-23(28)20-10-2-1-3-11-20)33-29-17-9-8-16-26(29)31(27)24-14-6-4-12-21(24)22-13-5-7-15-25(22)31/h1-19H.
What are the key properties of 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]?
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene] has a molecular weight of 442.95 g/mol, XLogP of 8.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 166844508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).