5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline

C117H69N5OS4 — CID 160560297

IUPAC5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
SMILESc1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1
InChIInChI=1S/C51H31N3S.C33H19NOS.C33H19NS2/c1-2-21-42-41(20-1)49-43-22-7-12-27-48(43)55-51(49)52-50(42)33-15-13-14-32(28-33)34-29-35(53-44-23-8-3-16-37(44)38-17-4-9-24-45(38)53)31-36(30-34)54-46-25-10-5-18-39(46)40-19-6-11-26-47(40)54;1-2-12-25-24(11-1)31-26-13-4-6-15-30(26)36-33(31)34-32(25)22-9-7-8-20(18-22)21-16-17-29-27(19-21)23-10-3-5-14-28(23)35-29;1-2-12-25-24(11-1)31-26-13-4-6-15-29(26)36-33(31)34-32(25)22-9-7-8-20(18-22)21-16-17-30-27(19-21)23-10-3-5-14-28(23)35-30/h1-31H;2*1-19H
InChIKeyQZFHUKBFKMHPJJ-UHFFFAOYSA-N
MW1689.14 g/mol
LogP34.27
Rot. Bonds8

About 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline

5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline (PubChem CID 160560297) has the molecular formula C117H69N5OS4 and a molecular weight of 1689.14 g/mol. Its IUPAC name is 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline.

Molecular Properties

Compound Name5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
PubChem CID160560297
Molecular FormulaC117H69N5OS4
Molecular Weight1689.14 g/mol
Exact Mass1687.44
IUPAC Name5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
SMILESc1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1
InChIInChI=1S/C51H31N3S.C33H19NOS.C33H19NS2/c1-2-21-42-41(20-1)49-43-22-7-12-27-48(43)55-51(49)52-50(42)33-15-13-14-32(28-33)34-29-35(53-44-23-8-3-16-37(44)38-17-4-9-24-45(38)53)31-36(30-34)54-46-25-10-5-18-39(46)40-19-6-11-26-47(40)54;1-2-12-25-24(11-1)31-26-13-4-6-15-30(26)36-33(31)34-32(25)22-9-7-8-20(18-22)21-16-17-29-27(19-21)23-10-3-5-14-28(23)35-29;1-2-12-25-24(11-1)31-26-13-4-6-15-29(26)36-33(31)34-32(25)22-9-7-8-20(18-22)21-16-17-30-27(19-21)23-10-3-5-14-28(23)35-30/h1-31H;2*1-19H
InChIKeyQZFHUKBFKMHPJJ-UHFFFAOYSA-N
XLogP34.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001689.14
LogP ≤ 534.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline with MolForge

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Related Compounds

2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 147547401
9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 162190539
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160571144
21-[3,5-di(carbazol-9-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3,5-di(dibenzofuran-4-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3,5-di(dibenzothiophen-2-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157276927
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The IUPAC name of 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline (CID 160560297) is 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline.
What is the SMILES notation for 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The canonical SMILES for 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline is c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1.
What is the InChIKey of 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The InChIKey is QZFHUKBFKMHPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S.C33H19NOS.C33H19NS2/c1-2-21-42-41(20-1)49-43-22-7-12-27-48(43)55-51(49)52-50(42)33-15-13-14-32(28-33)34-29-35(53-44-23-8-3-16-37(44)38-17-4-9-24-45(38)53)31-36(30-34)54-46-25-10-5-18-39(46)40-19-6-11-26-47(40)54;1-2-12-25-24(11-1)31-26-13-4-6-15-30(26)36-33(31)34-32(25)22-9-7-8-20(18-22)21-16-17-29-27(19-21)23-10-3-5-14-28(23)35-29;1-2-12-25-24(11-1)31-26-13-4-6-15-29(26)36-33(31)34-32(25)22-9-7-8-20(18-22)21-16-17-30-27(19-21)23-10-3-5-14-28(23)35-30/h1-31H;2*1-19H.
What are the key properties of 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline has a molecular weight of 1689.14 g/mol, XLogP of 34.27, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline is sourced from PubChem (CID 160560297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).