3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole

C54H32N2OS — CID 155305717

IUPAC3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C54H32N2OS/c1-5-16-47-39(12-1)43-29-34(20-24-49(43)55(47)37-11-9-10-33(28-37)36-22-26-52-45(31-36)41-14-3-7-18-51(41)57-52)35-21-25-50-44(30-35)40-13-2-6-17-48(40)56(50)38-23-27-54-46(32-38)42-15-4-8-19-53(42)58-54/h1-32H
InChIKeyGOSHWHYYDSFEPF-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole

3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole (PubChem CID 155305717) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
PubChem CID155305717
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C54H32N2OS/c1-5-16-47-39(12-1)43-29-34(20-24-49(43)55(47)37-11-9-10-33(28-37)36-22-26-52-45(31-36)41-14-3-7-18-51(41)57-52)35-21-25-50-44(30-35)40-13-2-6-17-48(40)56(50)38-23-27-54-46(32-38)42-15-4-8-19-53(42)58-54/h1-32H
InChIKeyGOSHWHYYDSFEPF-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-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
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole;9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-(4-dibenzofuran-2-ylphenyl)carbazole;3,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 160619262
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-9-yl]dibenzothiophen-2-yl]carbazole
CID 152935569
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
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-(8-carbazol-9-yldibenzofuran-2-yl)carbazole;9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazole;9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 159133190
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-phenylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-naphthalen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 158742909

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The IUPAC name of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole (CID 155305717) is 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The InChIKey is GOSHWHYYDSFEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-5-16-47-39(12-1)43-29-34(20-24-49(43)55(47)37-11-9-10-33(28-37)36-22-26-52-45(31-36)41-14-3-7-18-51(41)57-52)35-21-25-50-44(30-35)40-13-2-6-17-48(40)56(50)38-23-27-54-46(32-38)42-15-4-8-19-53(42)58-54/h1-32H.
What are the key properties of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole is sourced from PubChem (CID 155305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).