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

C105H63N9O2S — CID 161283220

IUPAC3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cncc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/2C35H21N3O.C35H21N3S/c1-5-13-30-24(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;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/h3*1-21H
InChIKeyVFJFSILWESBBGO-UHFFFAOYSA-N
MW1514.79 g/mol
LogP27.99
Rot. Bonds6

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

3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine (PubChem CID 161283220) has the molecular formula C105H63N9O2S and a molecular weight of 1514.79 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine
PubChem CID161283220
Molecular FormulaC105H63N9O2S
Molecular Weight1514.79 g/mol
Exact Mass1513.48
IUPAC Name3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cncc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/2C35H21N3O.C35H21N3S/c1-5-13-30-24(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;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/h3*1-21H
InChIKeyVFJFSILWESBBGO-UHFFFAOYSA-N
XLogP27.99
TPSA94.53 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.79
LogP ≤ 527.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099555
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 87766443
8-(8-Dibenzothiophen-2-ylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridine
CID 89850005
8-[3-(6-Dibenzothiophen-4-yl-2-pyridinyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850020
8-[3-(8-Dibenzothiophen-2-yldibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850025
[9-([1]Benzofuro[2,3-b]pyridin-6-yl)carbazol-3-yl]-dibenzothiophen-4-yl-phenylphosphane
CID 89850045
8-(4-Dibenzothiophen-1-yloxycarbazol-9-yl)-[1]benzofuro[3,2-b]pyridine
CID 89850049
3-[3-[9-(3-Phenylphenyl)carbazol-3-yl]sulfanylcarbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 89850050
8-[3-(9-Dibenzothiophen-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 89850054
8-[3-(9-Dibenzofuran-2-ylcarbazol-3-yl)sulfanylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850083
8-[3-[9-(9-Phenylpyrido[3,4-b]indol-6-yl)carbazol-3-yl]sulfonylcarbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 89850152
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850214

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine (CID 161283220) is 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cncc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is VFJFSILWESBBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H21N3O.C35H21N3S/c1-5-13-30-24(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;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/h3*1-21H.
What are the key properties of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine?
3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 1514.79 g/mol, XLogP of 27.99, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 161283220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).