3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

C66H41NO2 — CID 118488387

IUPAC3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)c4)c3)c2)cc1
InChIInChI=1S/C66H41NO2/c1-2-11-42(12-3-1)44-13-8-15-46(35-44)48-17-10-18-49(37-48)47-16-9-14-45(36-47)43-23-29-54(30-24-43)67-61-31-25-50(52-27-33-65-59(40-52)55-19-4-6-21-63(55)68-65)38-57(61)58-39-51(26-32-62(58)67)53-28-34-66-60(41-53)56-20-5-7-22-64(56)69-66/h1-41H
InChIKeyMUEXYLMTPZHRDL-UHFFFAOYSA-N
MW880.06 g/mol
LogP18.58
Rot. Bonds7

About 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 118488387) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID118488387
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC Name3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)c4)c3)c2)cc1
InChIInChI=1S/C66H41NO2/c1-2-11-42(12-3-1)44-13-8-15-46(35-44)48-17-10-18-49(37-48)47-16-9-14-45(36-47)43-23-29-54(30-24-43)67-61-31-25-50(52-27-33-65-59(40-52)55-19-4-6-21-63(55)68-65)38-57(61)58-39-51(26-32-62(58)67)53-28-34-66-60(41-53)56-20-5-7-22-64(56)69-66/h1-41H
InChIKeyMUEXYLMTPZHRDL-UHFFFAOYSA-N
XLogP18.58
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (CID 118488387) is 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)c4)c3)c2)cc1.
What is the InChIKey of 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is MUEXYLMTPZHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-11-42(12-3-1)44-13-8-15-46(35-44)48-17-10-18-49(37-48)47-16-9-14-45(36-47)43-23-29-54(30-24-43)67-61-31-25-50(52-27-33-65-59(40-52)55-19-4-6-21-63(55)68-65)38-57(61)58-39-51(26-32-62(58)67)53-28-34-66-60(41-53)56-20-5-7-22-64(56)69-66/h1-41H.
What are the key properties of 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 880.06 g/mol, XLogP of 18.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 118488387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).