spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]

C28H18OS — CID 12994412

IUPACspiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]
SMILESC1=CC2(Oc3cc4c(cc31)-c1ccccc1C4)c1ccccc1Sc1ccccc12
InChIInChI=1S/C28H18OS/c1-2-8-21-18(7-1)15-20-17-25-19(16-22(20)21)13-14-28(29-25)23-9-3-5-11-26(23)30-27-12-6-4-10-24(27)28/h1-14,16-17H,15H2
InChIKeyAYTMFNDQDJWUCG-UHFFFAOYSA-N
MW402.52 g/mol
LogP7.07
Rot. Bonds

About spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]

spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene] (PubChem CID 12994412) has the molecular formula C28H18OS and a molecular weight of 402.52 g/mol. Its IUPAC name is spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene].

Molecular Properties

Compound Namespiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]
PubChem CID12994412
Molecular FormulaC28H18OS
Molecular Weight402.52 g/mol
Exact Mass402.11
IUPAC Namespiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]
SMILESC1=CC2(Oc3cc4c(cc31)-c1ccccc1C4)c1ccccc1Sc1ccccc12
InChIInChI=1S/C28H18OS/c1-2-8-21-18(7-1)15-20-17-25-19(16-22(20)21)13-14-28(29-25)23-9-3-5-11-26(23)30-27-12-6-4-10-24(27)28/h1-14,16-17H,15H2
InChIKeyAYTMFNDQDJWUCG-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene] 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

nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene;oxophosphane
CID 174601741
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
CID 170219409
spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
9H-fluorene;3-iodo-9H-fluorene
CID 169429949
copper;9H-thioxanthene
CID 174315063
carbanide;6,12-dihydro-2H-indeno[1,2-b]fluoren-2-ide;yttrium
CID 59742356
azane;9H-fluorene;hydrobromide
CID 174352852

Frequently Asked Questions

What is the IUPAC name of spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]?
The IUPAC name of spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene] (CID 12994412) is spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene].
What is the SMILES notation for spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]?
The canonical SMILES for spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene] is C1=CC2(Oc3cc4c(cc31)-c1ccccc1C4)c1ccccc1Sc1ccccc12.
What is the InChIKey of spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]?
The InChIKey is AYTMFNDQDJWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18OS/c1-2-8-21-18(7-1)15-20-17-25-19(16-22(20)21)13-14-28(29-25)23-9-3-5-11-26(23)30-27-12-6-4-10-24(27)28/h1-14,16-17H,15H2.
What are the key properties of spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene]?
spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene] has a molecular weight of 402.52 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[10H-indeno[1,2-g]chromene-2,9'-thioxanthene] is sourced from PubChem (CID 12994412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).