3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole

C45H29NOS — CID 118098959

IUPAC3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C45H29NOS/c1-45(2)36-20-19-32-31-11-5-8-14-42(31)48-44(32)43(36)33-18-17-28(25-37(33)45)46-38-12-6-3-9-29(38)34-23-26(15-21-39(34)46)27-16-22-41-35(24-27)30-10-4-7-13-40(30)47-41/h3-25H,1-2H3
InChIKeyYJBJUPASMFSRQX-UHFFFAOYSA-N
MW631.80 g/mol
LogP13.02
Rot. Bonds2

About 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole

3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole (PubChem CID 118098959) has the molecular formula C45H29NOS and a molecular weight of 631.80 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
PubChem CID118098959
Molecular FormulaC45H29NOS
Molecular Weight631.80 g/mol
Exact Mass631.20
IUPAC Name3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C45H29NOS/c1-45(2)36-20-19-32-31-11-5-8-14-42(31)48-44(32)43(36)33-18-17-28(25-37(33)45)46-38-12-6-3-9-29(38)34-23-26(15-21-39(34)46)27-16-22-41-35(24-27)30-10-4-7-13-40(30)47-41/h3-25H,1-2H3
InChIKeyYJBJUPASMFSRQX-UHFFFAOYSA-N
XLogP13.02
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.80
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-di(dibenzofuran-4-yl)-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098976
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
3-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-(8-methyldibenzofuran-4-yl)carbazole
CID 134511649
9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole
CID 118098849
3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole
CID 158048985
9-[3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098909
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole
CID 159042536
2-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3,6-diphenyl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158234145
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170286844
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole (CID 118098959) is 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole?
The InChIKey is YJBJUPASMFSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NOS/c1-45(2)36-20-19-32-31-11-5-8-14-42(31)48-44(32)43(36)33-18-17-28(25-37(33)45)46-38-12-6-3-9-29(38)34-23-26(15-21-39(34)46)27-16-22-41-35(24-27)30-10-4-7-13-40(30)47-41/h3-25H,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole?
3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole has a molecular weight of 631.80 g/mol, XLogP of 13.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole is sourced from PubChem (CID 118098959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).