5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]

C37H23NS — CID 118880676

IUPAC5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Sc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C37H23NS/c1-2-12-24(13-3-1)38-33-19-9-5-15-26(33)28-22-27-25-14-4-6-16-29(25)37(32(27)23-34(28)38)30-17-7-10-20-35(30)39-36-21-11-8-18-31(36)37/h1-23H
InChIKeyZZCJJGRYOKWVIH-UHFFFAOYSA-N
MW513.67 g/mol
LogP9.61
Rot. Bonds1

About 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]

5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene] (PubChem CID 118880676) has the molecular formula C37H23NS and a molecular weight of 513.67 g/mol. Its IUPAC name is 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene].

Molecular Properties

Compound Name5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
PubChem CID118880676
Molecular FormulaC37H23NS
Molecular Weight513.67 g/mol
Exact Mass513.16
IUPAC Name5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Sc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C37H23NS/c1-2-12-24(13-3-1)38-33-19-9-5-15-26(33)28-22-27-25-14-4-6-16-29(25)37(32(27)23-34(28)38)30-17-7-10-20-35(30)39-36-21-11-8-18-31(36)37/h1-23H
InChIKeyZZCJJGRYOKWVIH-UHFFFAOYSA-N
XLogP9.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.67
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole
CID 146333777
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
9-phenyl-3-(5'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698364
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698345
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134

Frequently Asked Questions

What is the IUPAC name of 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]?
The IUPAC name of 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene] (CID 118880676) is 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene].
What is the SMILES notation for 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]?
The canonical SMILES for 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene] is c1ccc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Sc3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]?
The InChIKey is ZZCJJGRYOKWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NS/c1-2-12-24(13-3-1)38-33-19-9-5-15-26(33)28-22-27-25-14-4-6-16-29(25)37(32(27)23-34(28)38)30-17-7-10-20-35(30)39-36-21-11-8-18-31(36)37/h1-23H.
What are the key properties of 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]?
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene] has a molecular weight of 513.67 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene] is sourced from PubChem (CID 118880676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).