6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline

C102H63N3OS4 — CID 159380572

IUPAC6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc5ccccc5c5c4sc4ccccc45)c3)ccc21.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2sc2ccccc23)c1
InChIInChI=1S/C36H25NS.C33H19NOS.C33H19NS2/c1-36(2)29-15-6-3-12-25(29)28-21-23(18-19-30(28)36)22-10-9-11-24(20-22)34-35-33(26-13-4-7-16-31(26)37-34)27-14-5-8-17-32(27)38-35;1-4-13-27-24(11-1)31-25-12-3-6-15-30(25)36-33(31)32(34-27)22-9-7-8-20(18-22)21-16-17-29-26(19-21)23-10-2-5-14-28(23)35-29;1-4-13-27-24(11-1)31-25-12-3-6-15-29(25)36-33(31)32(34-27)22-9-7-8-20(18-22)21-16-17-30-26(19-21)23-10-2-5-14-28(23)35-30/h3-21H,1-2H3;2*1-19H
InChIKeyLKVVESDRKFBOFL-UHFFFAOYSA-N
MW1474.91 g/mol
LogP30.38
Rot. Bonds6

About 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline

6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 159380572) has the molecular formula C102H63N3OS4 and a molecular weight of 1474.91 g/mol. Its IUPAC name is 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID159380572
Molecular FormulaC102H63N3OS4
Molecular Weight1474.91 g/mol
Exact Mass1473.39
IUPAC Name6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc5ccccc5c5c4sc4ccccc45)c3)ccc21.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2sc2ccccc23)c1
InChIInChI=1S/C36H25NS.C33H19NOS.C33H19NS2/c1-36(2)29-15-6-3-12-25(29)28-21-23(18-19-30(28)36)22-10-9-11-24(20-22)34-35-33(26-13-4-7-16-31(26)37-34)27-14-5-8-17-32(27)38-35;1-4-13-27-24(11-1)31-25-12-3-6-15-30(25)36-33(31)32(34-27)22-9-7-8-20(18-22)21-16-17-29-26(19-21)23-10-2-5-14-28(23)35-29;1-4-13-27-24(11-1)31-25-12-3-6-15-29(25)36-33(31)32(34-27)22-9-7-8-20(18-22)21-16-17-30-26(19-21)23-10-2-5-14-28(23)35-30/h3-21H,1-2H3;2*1-19H
InChIKeyLKVVESDRKFBOFL-UHFFFAOYSA-N
XLogP30.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001474.91
LogP ≤ 530.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129134319
6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 171407347
7-[3-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009833
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene;9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene
CID 163714376
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
CID 159213259
2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
CID 158271079
2-dibenzothiophen-2-yl-4-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002845
2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167197027
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163985838

Frequently Asked Questions

What is the IUPAC name of 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 159380572) is 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc5ccccc5c5c4sc4ccccc45)c3)ccc21.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2sc2ccccc23)c1.
What is the InChIKey of 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is LKVVESDRKFBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NS.C33H19NOS.C33H19NS2/c1-36(2)29-15-6-3-12-25(29)28-21-23(18-19-30(28)36)22-10-9-11-24(20-22)34-35-33(26-13-4-7-16-31(26)37-34)27-14-5-8-17-32(27)38-35;1-4-13-27-24(11-1)31-25-12-3-6-15-30(25)36-33(31)32(34-27)22-9-7-8-20(18-22)21-16-17-29-26(19-21)23-10-2-5-14-28(23)35-29;1-4-13-27-24(11-1)31-25-12-3-6-15-29(25)36-33(31)32(34-27)22-9-7-8-20(18-22)21-16-17-30-26(19-21)23-10-2-5-14-28(23)35-30/h3-21H,1-2H3;2*1-19H.
What are the key properties of 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1474.91 g/mol, XLogP of 30.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 159380572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).