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

5-[2-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-yl-1H-indole
CID 9879628
2-(Dibenzo[b,d]furan-2-yl)benzo[d]thiazole
CID 2324946
2-[4-(2,8-Diphenyldibenzothiophen-4-yl)phenyl]benzoxazole
CID 67608627
Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 90194085
3-Dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
CID 118488388
3-[2-[5-Carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 118945770
9-(3-Dibenzofuran-2-ylphenyl)-4-fluorocarbazole
CID 121419669

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).