3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole

C54H35NO — CID 118438947

IUPAC3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6c5c4)c3)c2)cc1
InChIInChI=1S/C54H35NO/c1-4-12-36(13-5-1)38-16-10-17-39(30-38)40-18-11-19-41(31-40)44-24-28-53-49(34-44)50-35-45(25-29-54(50)56-53)43-23-27-52-48(33-43)47-32-42(37-14-6-2-7-15-37)22-26-51(47)55(52)46-20-8-3-9-21-46/h1-35H
InChIKeyZBLXJNQIJYGHJH-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.02
Rot. Bonds6

About 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole

3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 118438947) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
PubChem CID118438947
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC Name3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6c5c4)c3)c2)cc1
InChIInChI=1S/C54H35NO/c1-4-12-36(13-5-1)38-16-10-17-39(30-38)40-18-11-19-41(31-40)44-24-28-53-49(34-44)50-35-45(25-29-54(50)56-53)43-23-27-52-48(33-43)47-32-42(37-14-6-2-7-15-37)22-26-51(47)55(52)46-20-8-3-9-21-46/h1-35H
InChIKeyZBLXJNQIJYGHJH-UHFFFAOYSA-N
XLogP15.02
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
2,8-dimethyldibenzofuran;3,6-dimethyl-9-phenylcarbazole;2-methyl-8-(8-methyldibenzofuran-2-yl)dibenzofuran;3-methyl-6-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;2-methyl-8-[3-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran;3-methyl-6-[8-(6-methyl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2-methyl-8-(3-methylphenyl)dibenzofuran
CID 160962329
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole (CID 118438947) is 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6c5c4)c3)c2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is ZBLXJNQIJYGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-4-12-36(13-5-1)38-16-10-17-39(30-38)40-18-11-19-41(31-40)44-24-28-53-49(34-44)50-35-45(25-29-54(50)56-53)43-23-27-52-48(33-43)47-32-42(37-14-6-2-7-15-37)22-26-51(47)55(52)46-20-8-3-9-21-46/h1-35H.
What are the key properties of 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole?
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 713.88 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 118438947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).