9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole

C48H30N2S2 — CID 118698418

IUPAC9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cccc32)cc1
InChIInChI=1S/C48H30N2S2/c1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40/h1-30H
InChIKeySXSMMMWZKDTJPZ-UHFFFAOYSA-N
MW698.92 g/mol
LogP12.82
Rot. Bonds3

About 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole

9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole (PubChem CID 118698418) has the molecular formula C48H30N2S2 and a molecular weight of 698.92 g/mol. Its IUPAC name is 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
PubChem CID118698418
Molecular FormulaC48H30N2S2
Molecular Weight698.92 g/mol
Exact Mass698.19
IUPAC Name9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cccc32)cc1
InChIInChI=1S/C48H30N2S2/c1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40/h1-30H
InChIKeySXSMMMWZKDTJPZ-UHFFFAOYSA-N
XLogP12.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.92
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698412
9-phenyl-4-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole
CID 158909916
9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 159692773
4-[3'-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]-9-phenylcarbazole
CID 118860869
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]-9-phenylcarbazole
CID 118861080
9-phenyl-2-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698311
9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698300
9-phenyl-3-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698297
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-2-yl)carbazole
CID 118698357
9-phenyl-4-(2-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(3-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 159259452
9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylphenyl)carbazole
CID 140814567

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole?
The IUPAC name of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole (CID 118698418) is 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole?
The InChIKey is SXSMMMWZKDTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S2/c1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40/h1-30H.
What are the key properties of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole?
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole has a molecular weight of 698.92 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole is sourced from PubChem (CID 118698418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).