9-(10,10-diphenylphenoxathiin-3-yl)carbazole

C36H25NOS — CID 138482274

IUPAC9-(10,10-diphenylphenoxathiin-3-yl)carbazole
SMILESc1ccc(S2(c3ccccc3)c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C36H25NOS/c1-3-13-27(14-4-1)39(28-15-5-2-6-16-28)35-22-12-11-21-33(35)38-34-25-26(23-24-36(34)39)37-31-19-9-7-17-29(31)30-18-8-10-20-32(30)37/h1-25H
InChIKeyMLKVNVJOXZFFBA-UHFFFAOYSA-N
MW519.67 g/mol
LogP10.23
Rot. Bonds3

About 9-(10,10-diphenylphenoxathiin-3-yl)carbazole

9-(10,10-diphenylphenoxathiin-3-yl)carbazole (PubChem CID 138482274) has the molecular formula C36H25NOS and a molecular weight of 519.67 g/mol. Its IUPAC name is 9-(10,10-diphenylphenoxathiin-3-yl)carbazole.

Molecular Properties

Compound Name9-(10,10-diphenylphenoxathiin-3-yl)carbazole
PubChem CID138482274
Molecular FormulaC36H25NOS
Molecular Weight519.67 g/mol
Exact Mass519.17
IUPAC Name9-(10,10-diphenylphenoxathiin-3-yl)carbazole
SMILESc1ccc(S2(c3ccccc3)c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C36H25NOS/c1-3-13-27(14-4-1)39(28-15-5-2-6-16-28)35-22-12-11-21-33(35)38-34-25-26(23-24-36(34)39)37-31-19-9-7-17-29(31)30-18-8-10-20-32(30)37/h1-25H
InChIKeyMLKVNVJOXZFFBA-UHFFFAOYSA-N
XLogP10.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 137466559
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856
3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
9-(17-carbazol-9-yl-11-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole
CID 163701316
3-carbazol-9-yl-10-diphenylphosphorylphenoxazine
CID 140928514
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
CID 149296374
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole
CID 123830554
10-(17-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl)-5,5-diphenylphenothiazine
CID 174130737

Frequently Asked Questions

What is the IUPAC name of 9-(10,10-diphenylphenoxathiin-3-yl)carbazole?
The IUPAC name of 9-(10,10-diphenylphenoxathiin-3-yl)carbazole (CID 138482274) is 9-(10,10-diphenylphenoxathiin-3-yl)carbazole.
What is the SMILES notation for 9-(10,10-diphenylphenoxathiin-3-yl)carbazole?
The canonical SMILES for 9-(10,10-diphenylphenoxathiin-3-yl)carbazole is c1ccc(S2(c3ccccc3)c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 9-(10,10-diphenylphenoxathiin-3-yl)carbazole?
The InChIKey is MLKVNVJOXZFFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NOS/c1-3-13-27(14-4-1)39(28-15-5-2-6-16-28)35-22-12-11-21-33(35)38-34-25-26(23-24-36(34)39)37-31-19-9-7-17-29(31)30-18-8-10-20-32(30)37/h1-25H.
What are the key properties of 9-(10,10-diphenylphenoxathiin-3-yl)carbazole?
9-(10,10-diphenylphenoxathiin-3-yl)carbazole has a molecular weight of 519.67 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10,10-diphenylphenoxathiin-3-yl)carbazole is sourced from PubChem (CID 138482274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).