3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole

C48H27NO2S — CID 170688567

IUPAC3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5cc(-c6ccc7c(c6)sc6ccccc67)ccc5c4c3)cc12
InChIInChI=1S/C48H27NO2S/c1-4-10-41-33(7-1)38-23-28(29-16-21-44-39(24-29)34-8-2-5-11-43(34)50-44)15-20-42(38)49(41)32-17-22-45-40(27-32)35-18-13-30(25-46(35)51-45)31-14-19-37-36-9-3-6-12-47(36)52-48(37)26-31/h1-27H
InChIKeyWFRBBXUEUQMLHD-UHFFFAOYSA-N
MW681.82 g/mol
LogP14.28
Rot. Bonds3

About 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole

3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole (PubChem CID 170688567) has the molecular formula C48H27NO2S and a molecular weight of 681.82 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
PubChem CID170688567
Molecular FormulaC48H27NO2S
Molecular Weight681.82 g/mol
Exact Mass681.18
IUPAC Name3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5cc(-c6ccc7c(c6)sc6ccccc67)ccc5c4c3)cc12
InChIInChI=1S/C48H27NO2S/c1-4-10-41-33(7-1)38-23-28(29-16-21-44-39(24-29)34-8-2-5-11-43(34)50-44)15-20-42(38)49(41)32-17-22-45-40(27-32)35-18-13-30(25-46(35)51-45)31-14-19-37-36-9-3-6-12-47(36)52-48(37)26-31/h1-27H
InChIKeyWFRBBXUEUQMLHD-UHFFFAOYSA-N
XLogP14.28
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
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-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170286844
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole (CID 170688567) is 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5cc(-c6ccc7c(c6)sc6ccccc67)ccc5c4c3)cc12.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
The InChIKey is WFRBBXUEUQMLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NO2S/c1-4-10-41-33(7-1)38-23-28(29-16-21-44-39(24-29)34-8-2-5-11-43(34)50-44)15-20-42(38)49(41)32-17-22-45-40(27-32)35-18-13-30(25-46(35)51-45)31-14-19-37-36-9-3-6-12-47(36)52-48(37)26-31/h1-27H.
What are the key properties of 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole has a molecular weight of 681.82 g/mol, XLogP of 14.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 170688567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).