5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline

C34H20ClNO — CID 146547389

IUPAC5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline
SMILESClc1ccc2c(c1)-c1cc(-c3cccc4ncccc34)ccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C34H20ClNO/c35-22-15-17-28-26(20-22)25-19-21(23-7-5-11-31-24(23)8-6-18-36-31)14-16-27(25)34(28)29-9-1-3-12-32(29)37-33-13-4-2-10-30(33)34/h1-20H
InChIKeyURNXBIXEUYUNIW-UHFFFAOYSA-N
MW493.99 g/mol
LogP9.02
Rot. Bonds1

About 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline

5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline (PubChem CID 146547389) has the molecular formula C34H20ClNO and a molecular weight of 493.99 g/mol. Its IUPAC name is 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline.

Molecular Properties

Compound Name5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline
PubChem CID146547389
Molecular FormulaC34H20ClNO
Molecular Weight493.99 g/mol
Exact Mass493.12
IUPAC Name5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline
SMILESClc1ccc2c(c1)-c1cc(-c3cccc4ncccc34)ccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C34H20ClNO/c35-22-15-17-28-26(20-22)25-19-21(23-7-5-11-31-24(23)8-6-18-36-31)14-16-27(25)34(28)29-9-1-3-12-32(29)37-33-13-4-2-10-30(33)34/h1-20H
InChIKeyURNXBIXEUYUNIW-UHFFFAOYSA-N
XLogP9.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.99
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 146547779
5-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 164793254
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 165106906
8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 158598038
2-[3-(1,3-benzoxazol-2-yl)-5-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783727
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
5-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793121
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 163458201
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855130
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263

Frequently Asked Questions

What is the IUPAC name of 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline?
The IUPAC name of 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline (CID 146547389) is 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline.
What is the SMILES notation for 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline?
The canonical SMILES for 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline is Clc1ccc2c(c1)-c1cc(-c3cccc4ncccc34)ccc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline?
The InChIKey is URNXBIXEUYUNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClNO/c35-22-15-17-28-26(20-22)25-19-21(23-7-5-11-31-24(23)8-6-18-36-31)14-16-27(25)34(28)29-9-1-3-12-32(29)37-33-13-4-2-10-30(33)34/h1-20H.
What are the key properties of 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline?
5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline has a molecular weight of 493.99 g/mol, XLogP of 9.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline is sourced from PubChem (CID 146547389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).