10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]

C39H25N3O — CID 122435709

IUPAC10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccccc2-c2cccc3nccnc23)c2ccccc21
InChIInChI=1S/C39H25N3O/c1-6-19-33(26(12-1)27-13-11-18-32-38(27)41-25-24-40-32)42-34-20-7-2-14-28(34)39(29-15-3-8-21-35(29)42)30-16-4-9-22-36(30)43-37-23-10-5-17-31(37)39/h1-25H
InChIKeySEXUUOZPVNVBNR-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.57
Rot. Bonds2

About 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]

10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene] (PubChem CID 122435709) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]
PubChem CID122435709
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccccc2-c2cccc3nccnc23)c2ccccc21
InChIInChI=1S/C39H25N3O/c1-6-19-33(26(12-1)27-13-11-18-32-38(27)41-25-24-40-32)42-34-20-7-2-14-28(34)39(29-15-3-8-21-35(29)42)30-16-4-9-22-36(30)43-37-23-10-5-17-31(37)39/h1-25H
InChIKeySEXUUOZPVNVBNR-UHFFFAOYSA-N
XLogP9.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
CID 146654706
10-[2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)phenyl]spiro[acridine-9,9'-xanthene]
CID 177278339
spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809024
2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile
CID 158258519
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 122435680
3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
CID 118920537
5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline
CID 146547389
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344
1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one
CID 146268349

Frequently Asked Questions

What is the IUPAC name of 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene] (CID 122435709) is 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccccc2-c2cccc3nccnc23)c2ccccc21.
What is the InChIKey of 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]?
The InChIKey is SEXUUOZPVNVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-6-19-33(26(12-1)27-13-11-18-32-38(27)41-25-24-40-32)42-34-20-7-2-14-28(34)39(29-15-3-8-21-35(29)42)30-16-4-9-22-36(30)43-37-23-10-5-17-31(37)39/h1-25H.
What are the key properties of 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]?
10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene] has a molecular weight of 551.65 g/mol, XLogP of 9.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 122435709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).