3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine

C117H70N10OS2 — CID 159484267

IUPAC3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)cncc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C47H28N4O.2C35H21N3S/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-34-27(19-22)28-20-36-21-33(35(28)39-34)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38/h1-28H;2*1-21H
InChIKeyLXJRPBXYYYKZNH-UHFFFAOYSA-N
MW1696.05 g/mol
LogP31.56
Rot. Bonds7

About 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine

3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine (PubChem CID 159484267) has the molecular formula C117H70N10OS2 and a molecular weight of 1696.05 g/mol. Its IUPAC name is 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
PubChem CID159484267
Molecular FormulaC117H70N10OS2
Molecular Weight1696.05 g/mol
Exact Mass1694.52
IUPAC Name3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)cncc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C47H28N4O.2C35H21N3S/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-34-27(19-22)28-20-36-21-33(35(28)39-34)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38/h1-28H;2*1-21H
InChIKeyLXJRPBXYYYKZNH-UHFFFAOYSA-N
XLogP31.56
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.05
LogP ≤ 531.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine with MolForge

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Related Compounds

3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
12-[4-[9-([1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;3-[3-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine;12-[4-[9-([1]benzothiolo[3,2-c]pyridin-4-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;6-carbazol-9-yl-3-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine;6-carbazol-9-yl-3-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine;3-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine;3-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-[1]benzothiolo[2,3-b]pyridine;12-[4-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 161463277
6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 146572879
9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147172
3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
CID 168836117
9-[8-carbazol-9-yl-2-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-4-yl]-3-dibenzofuran-4-ylcarbazole;3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-2-ylcarbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-4-ylcarbazole
CID 160860394
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 160542300
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 159294598

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine (CID 159484267) is 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine is c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)cncc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is LXJRPBXYYYKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O.2C35H21N3S/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-34-27(19-22)28-20-36-21-33(35(28)39-34)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38/h1-28H;2*1-21H.
What are the key properties of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 1696.05 g/mol, XLogP of 31.56, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 159484267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).