10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]

C44H29NS — CID 145125673

IUPAC10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]
SMILESc1ccc2c(c1)Cc1ccccc1C21c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2ccccc21
InChIInChI=1S/C44H29NS/c1-5-20-35-29(14-1)28-30-15-2-6-21-36(30)44(35)37-22-7-10-25-40(37)45(41-26-11-8-23-38(41)44)39-24-9-3-16-31(39)33-18-13-19-34-32-17-4-12-27-42(32)46-43(33)34/h1-27H,28H2
InChIKeyIZQLEYDDGKJCLS-UHFFFAOYSA-N
MW603.79 g/mol
LogP11.79
Rot. Bonds2

About 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]

10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine] (PubChem CID 145125673) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine].

Molecular Properties

Compound Name10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]
PubChem CID145125673
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]
SMILESc1ccc2c(c1)Cc1ccccc1C21c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2ccccc21
InChIInChI=1S/C44H29NS/c1-5-20-35-29(14-1)28-30-15-2-6-21-36(30)44(35)37-22-7-10-25-40(37)45(41-26-11-8-23-38(41)44)39-24-9-3-16-31(39)33-18-13-19-34-32-17-4-12-27-42(32)46-43(33)34/h1-27H,28H2
InChIKeyIZQLEYDDGKJCLS-UHFFFAOYSA-N
XLogP11.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
1'-dibenzothiophen-4-yl-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]
CID 135140251
10'-(4-dibenzothiophen-4-ylphenyl)-2-methyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670463
2,7-di(dibenzothiophen-4-yl)-10H-anthracen-9-one
CID 164765338
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
3-spiro[acridine-9,9'-fluorene]-10-ylthioxanthen-9-one
CID 121337058
N-(2-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-3'-amine
CID 167176269
14-spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130463204
1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 154970843
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
CID 122627254
4-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-yldibenzothiophene
CID 87946143
4-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-yldibenzothiophene
CID 122413296

Frequently Asked Questions

What is the IUPAC name of 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]?
The IUPAC name of 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine] (CID 145125673) is 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine].
What is the SMILES notation for 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]?
The canonical SMILES for 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine] is c1ccc2c(c1)Cc1ccccc1C21c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2ccccc21.
What is the InChIKey of 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]?
The InChIKey is IZQLEYDDGKJCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-5-20-35-29(14-1)28-30-15-2-6-21-36(30)44(35)37-22-7-10-25-40(37)45(41-26-11-8-23-38(41)44)39-24-9-3-16-31(39)33-18-13-19-34-32-17-4-12-27-42(32)46-43(33)34/h1-27H,28H2.
What are the key properties of 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]?
10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine] has a molecular weight of 603.79 g/mol, XLogP of 11.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine] is sourced from PubChem (CID 145125673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).