2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene

C47H26S — CID 134528286

IUPAC2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2cccc(-c3ccc5sc6ccccc6c5c3)c21)c1ccccc1-4
InChIInChI=1S/C47H26S/c1-2-12-30-29(11-1)33-17-10-19-36-44(33)38(30)26-41-45(36)35-15-4-7-21-40(35)47(41)39-20-6-3-13-31(39)34-18-9-16-28(46(34)47)27-23-24-43-37(25-27)32-14-5-8-22-42(32)48-43/h1-26H
InChIKeyKPNJEJKJONGFKS-UHFFFAOYSA-N
MW622.79 g/mol
LogP12.87
Rot. Bonds1

About 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene

2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene (PubChem CID 134528286) has the molecular formula C47H26S and a molecular weight of 622.79 g/mol. Its IUPAC name is 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene.

Molecular Properties

Compound Name2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene
PubChem CID134528286
Molecular FormulaC47H26S
Molecular Weight622.79 g/mol
Exact Mass622.18
IUPAC Name2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2cccc(-c3ccc5sc6ccccc6c5c3)c21)c1ccccc1-4
InChIInChI=1S/C47H26S/c1-2-12-30-29(11-1)33-17-10-19-36-44(33)38(30)26-41-45(36)35-15-4-7-21-40(35)47(41)39-20-6-3-13-31(39)34-18-9-16-28(46(34)47)27-23-24-43-37(25-27)32-14-5-8-22-42(32)48-43/h1-26H
InChIKeyKPNJEJKJONGFKS-UHFFFAOYSA-N
XLogP12.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.79
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene with MolForge

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Related Compounds

2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yldibenzothiophene
CID 126712871
spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole
CID 134528204
2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene
CID 137493007
1'-dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 140910417
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163
2-dibenzothiophen-2-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166002402
2-bromo-8-spiro[benzo[c]fluorene-7,9'-fluorene]-4-yldibenzothiophene
CID 145144838
16'-phenanthren-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390390
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 153369473
4-dibenzothiophen-2-yl-6-[3-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602349

Frequently Asked Questions

What is the IUPAC name of 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene?
The IUPAC name of 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene (CID 134528286) is 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene.
What is the SMILES notation for 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene?
The canonical SMILES for 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene is c1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2cccc(-c3ccc5sc6ccccc6c5c3)c21)c1ccccc1-4.
What is the InChIKey of 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene?
The InChIKey is KPNJEJKJONGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26S/c1-2-12-30-29(11-1)33-17-10-19-36-44(33)38(30)26-41-45(36)35-15-4-7-21-40(35)47(41)39-20-6-3-13-31(39)34-18-9-16-28(46(34)47)27-23-24-43-37(25-27)32-14-5-8-22-42(32)48-43/h1-26H.
What are the key properties of 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene?
2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene has a molecular weight of 622.79 g/mol, XLogP of 12.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene is sourced from PubChem (CID 134528286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).