10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]

C50H34OS — CID 166877549

IUPAC10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]
SMILESc1ccc(CCC(c2ccc3c(c2)-c2c(ccc4ccccc24)C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C50H34OS/c1-2-12-32(13-3-1)22-26-36(35-23-27-39-38-16-6-11-21-47(38)52-48(39)31-35)34-25-28-41-40(30-34)49-37-15-5-4-14-33(37)24-29-44(49)50(41)42-17-7-9-19-45(42)51-46-20-10-8-18-43(46)50/h1-21,23-25,27-31,36H,22,26H2
InChIKeyMWMJPVADWXNBMX-UHFFFAOYSA-N
MW682.89 g/mol
LogP13.44
Rot. Bonds5

About 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]

10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene] (PubChem CID 166877549) has the molecular formula C50H34OS and a molecular weight of 682.89 g/mol. Its IUPAC name is 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene].

Molecular Properties

Compound Name10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]
PubChem CID166877549
Molecular FormulaC50H34OS
Molecular Weight682.89 g/mol
Exact Mass682.23
IUPAC Name10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]
SMILESc1ccc(CCC(c2ccc3c(c2)-c2c(ccc4ccccc24)C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C50H34OS/c1-2-12-32(13-3-1)22-26-36(35-23-27-39-38-16-6-11-21-47(38)52-48(39)31-35)34-25-28-41-40(30-34)49-37-15-5-4-14-33(37)24-29-44(49)50(41)42-17-7-9-19-45(42)51-46-20-10-8-18-43(46)50/h1-21,23-25,27-31,36H,22,26H2
InChIKeyMWMJPVADWXNBMX-UHFFFAOYSA-N
XLogP13.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.89
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 156563559
3-[3-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)-3-(9,9'-spirobi[fluorene]-4'-yl)propyl]dibenzothiophene
CID 167269546
triphenyl(spiro[benzo[g]fluorene-7,9'-xanthene]-9-yl)silane
CID 171742854
N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 169305195
spiro[hexacyclo[12.11.0.02,11.05,10.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),19,21,23-dodecaene-18,9'-xanthene]
CID 171742859
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167177645
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
N-naphtho[2,3-b][1]benzothiol-3-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 169305220
2-naphthalen-2-yl-4-spiro[benzo[c]fluorene-7,9'-xanthene]-3'-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 170928785
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137388664

Frequently Asked Questions

What is the IUPAC name of 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
The IUPAC name of 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene] (CID 166877549) is 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene].
What is the SMILES notation for 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
The canonical SMILES for 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene] is c1ccc(CCC(c2ccc3c(c2)-c2c(ccc4ccccc24)C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
The InChIKey is MWMJPVADWXNBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34OS/c1-2-12-32(13-3-1)22-26-36(35-23-27-39-38-16-6-11-21-47(38)52-48(39)31-35)34-25-28-41-40(30-34)49-37-15-5-4-14-33(37)24-29-44(49)50(41)42-17-7-9-19-45(42)51-46-20-10-8-18-43(46)50/h1-21,23-25,27-31,36H,22,26H2.
What are the key properties of 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene] has a molecular weight of 682.89 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-dibenzothiophen-3-yl-3-phenylpropyl)spiro[benzo[c]fluorene-7,9'-xanthene] is sourced from PubChem (CID 166877549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).