2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C33H20N2 — CID 163458201

IUPAC2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESc1ccc2c(c1)-c1ccc(-c3ccnc4ccccc34)cc1C21c2ccccc2-c2cccnc21
InChIInChI=1S/C33H20N2/c1-4-12-28-23(8-1)25-16-15-21(22-17-19-34-31-14-6-3-10-26(22)31)20-30(25)33(28)29-13-5-2-9-24(29)27-11-7-18-35-32(27)33/h1-20H
InChIKeyBMHJUVYGUXLSAW-UHFFFAOYSA-N
MW444.54 g/mol
LogP7.64
Rot. Bonds1

About 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 163458201) has the molecular formula C33H20N2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID163458201
Molecular FormulaC33H20N2
Molecular Weight444.54 g/mol
Exact Mass444.16
IUPAC Name2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESc1ccc2c(c1)-c1ccc(-c3ccnc4ccccc34)cc1C21c2ccccc2-c2cccnc21
InChIInChI=1S/C33H20N2/c1-4-12-28-23(8-1)25-16-15-21(22-17-19-34-31-14-6-3-10-26(22)31)20-30(25)33(28)29-13-5-2-9-24(29)27-11-7-18-35-32(27)33/h1-20H
InChIKeyBMHJUVYGUXLSAW-UHFFFAOYSA-N
XLogP7.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
5-(6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzothiole]-2-ylpyren-1-yl)quinoline
CID 122631592
5-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793121
4-naphthalen-2-ylquinoline
CID 14173372
5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline
CID 146547389
5-[5'-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547267
4-(3-methylphenyl)quinoline
CID 146587179
6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole
CID 130440836
5-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 164793254
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 146547779
2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline
CID 161023410
spiro[fluorene-9,7'-indeno[1,2-f]quinoline]
CID 134354321

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 163458201) is 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is c1ccc2c(c1)-c1ccc(-c3ccnc4ccccc34)cc1C21c2ccccc2-c2cccnc21.
What is the InChIKey of 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is BMHJUVYGUXLSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2/c1-4-12-28-23(8-1)25-16-15-21(22-17-19-34-31-14-6-3-10-26(22)31)20-30(25)33(28)29-13-5-2-9-24(29)27-11-7-18-35-32(27)33/h1-20H.
What are the key properties of 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 444.54 g/mol, XLogP of 7.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 163458201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).