3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole

C66H41NOS — CID 90265537

IUPAC3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c4)cc3c3cc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)ccc32)cc1
InChIInChI=1S/C66H41NOS/c1-2-20-54(21-3-1)67-61-30-26-50(46-16-8-12-42(34-46)44-14-10-18-48(36-44)52-28-32-64-59(40-52)55-22-4-6-24-63(55)68-64)38-57(61)58-39-51(27-31-62(58)67)47-17-9-13-43(35-47)45-15-11-19-49(37-45)53-29-33-66-60(41-53)56-23-5-7-25-65(56)69-66/h1-41H
InChIKeyBYLOBGVMZPXBEW-UHFFFAOYSA-N
MW896.13 g/mol
LogP19.05
Rot. Bonds7

About 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole

3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 90265537) has the molecular formula C66H41NOS and a molecular weight of 896.13 g/mol. Its IUPAC name is 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
PubChem CID90265537
Molecular FormulaC66H41NOS
Molecular Weight896.13 g/mol
Exact Mass895.29
IUPAC Name3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c4)cc3c3cc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)ccc32)cc1
InChIInChI=1S/C66H41NOS/c1-2-20-54(21-3-1)67-61-30-26-50(46-16-8-12-42(34-46)44-14-10-18-48(36-44)52-28-32-64-59(40-52)55-22-4-6-24-63(55)68-64)38-57(61)58-39-51(27-31-62(58)67)47-17-9-13-43(35-47)45-15-11-19-49(37-45)53-29-33-66-60(41-53)56-23-5-7-25-65(56)69-66/h1-41H
InChIKeyBYLOBGVMZPXBEW-UHFFFAOYSA-N
XLogP19.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.13
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
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
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
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
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
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-(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
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
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-[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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole (CID 90265537) is 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c4)cc3c3cc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is BYLOBGVMZPXBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NOS/c1-2-20-54(21-3-1)67-61-30-26-50(46-16-8-12-42(34-46)44-14-10-18-48(36-44)52-28-32-64-59(40-52)55-22-4-6-24-63(55)68-64)38-57(61)58-39-51(27-31-62(58)67)47-17-9-13-43(35-47)45-15-11-19-49(37-45)53-29-33-66-60(41-53)56-23-5-7-25-65(56)69-66/h1-41H.
What are the key properties of 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole?
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 896.13 g/mol, XLogP of 19.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 90265537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).