8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine

C63H39N3O2S — CID 145108682

IUPAC8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
SMILESC/C=c1\c(=C\c2ccc(-n3c4ccc(-c5ccc(-c6cccc7c6oc6ncccc67)cc5)cc4c4cc(-c5ccc(-c6cccc7c6sc6ncccc67)cc5)ccc43)cc2)oc2ccccc12
InChIInChI=1S/C63H39N3O2S/c1-2-46-49-9-3-4-16-58(49)67-59(46)35-38-17-29-45(30-18-38)66-56-31-27-43(39-19-23-41(24-20-39)47-10-5-12-50-52-14-7-33-64-62(52)68-60(47)50)36-54(56)55-37-44(28-32-57(55)66)40-21-25-42(26-22-40)48-11-6-13-51-53-15-8-34-65-63(53)69-61(48)51/h2-37H,1H3/b46-2-,59-35-
InChIKeyPKYQKDJNVCGTCT-YYCFRZCDSA-N
MW902.09 g/mol
LogP15.88
Rot. Bonds6

About 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine

8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 145108682) has the molecular formula C63H39N3O2S and a molecular weight of 902.09 g/mol. Its IUPAC name is 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID145108682
Molecular FormulaC63H39N3O2S
Molecular Weight902.09 g/mol
Exact Mass901.28
IUPAC Name8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
SMILESC/C=c1\c(=C\c2ccc(-n3c4ccc(-c5ccc(-c6cccc7c6oc6ncccc67)cc5)cc4c4cc(-c5ccc(-c6cccc7c6sc6ncccc67)cc5)ccc43)cc2)oc2ccccc12
InChIInChI=1S/C63H39N3O2S/c1-2-46-49-9-3-4-16-58(49)67-59(46)35-38-17-29-45(30-18-38)66-56-31-27-43(39-19-23-41(24-20-39)47-10-5-12-50-52-14-7-33-64-62(52)68-60(47)50)36-54(56)55-37-44(28-32-57(55)66)40-21-25-42(26-22-40)48-11-6-13-51-53-15-8-34-65-63(53)69-61(48)51/h2-37H,1H3/b46-2-,59-35-
InChIKeyPKYQKDJNVCGTCT-YYCFRZCDSA-N
XLogP15.88
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.09
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

1-(4-acetylphenyl)ethanone;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene-5-ide;3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;6,9-dimethyl-3H-carbazol-3-ide;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;5-methyl-8H-pyrido[4,3-b]indol-8-ide;tungsten
CID 158941711
1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;6,9-dimethyl-3H-carbazol-3-ide;3,8-dimethyl-2,9-dihydro-1,10-phenanthroline-2,9-diide;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;methane;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;5-methyl-8H-pyrido[4,3-b]indol-8-ide;tungsten
CID 161578898
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
5-[8-(1-Benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole
CID 58461820
9-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 58501544
9-Dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 58501567
9-Dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
CID 58501585
3-(2-Pyridin-3-ylphenyl)-9-[8-[8-(2-pyridin-3-ylphenyl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 58501588

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine (CID 145108682) is 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine is C/C=c1\c(=C\c2ccc(-n3c4ccc(-c5ccc(-c6cccc7c6oc6ncccc67)cc5)cc4c4cc(-c5ccc(-c6cccc7c6sc6ncccc67)cc5)ccc43)cc2)oc2ccccc12.
What is the InChIKey of 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is PKYQKDJNVCGTCT-YYCFRZCDSA-N. The full InChI is InChI=1S/C63H39N3O2S/c1-2-46-49-9-3-4-16-58(49)67-59(46)35-38-17-29-45(30-18-38)66-56-31-27-43(39-19-23-41(24-20-39)47-10-5-12-50-52-14-7-33-64-62(52)68-60(47)50)36-54(56)55-37-44(28-32-57(55)66)40-21-25-42(26-22-40)48-11-6-13-51-53-15-8-34-65-63(53)69-61(48)51/h2-37H,1H3/b46-2-,59-35-.
What are the key properties of 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 902.09 g/mol, XLogP of 15.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-[4-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]-9-[4-[(Z)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]methyl]phenyl]carbazol-3-yl]phenyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 145108682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).