3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole

C60H39N3O — CID 163750237

IUPAC3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc3c2oc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)CC1
InChIInChI=1S/C60H39N3O/c1-2-17-41(18-3-1)61-54-29-11-8-24-48(54)50-35-39(32-33-57(50)61)43-25-15-26-49-51-36-40(38-16-14-19-42(34-38)62-52-27-9-4-20-44(52)45-21-5-10-28-53(45)62)37-58(60(51)64-59(43)49)63-55-30-12-6-22-46(55)47-23-7-13-31-56(47)63/h1-6,8-22,24-37H,7,23H2
InChIKeyLPJCOIAECHMJOR-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.02
Rot. Bonds5

About 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole

3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 163750237) has the molecular formula C60H39N3O and a molecular weight of 817.99 g/mol. Its IUPAC name is 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
PubChem CID163750237
Molecular FormulaC60H39N3O
Molecular Weight817.99 g/mol
Exact Mass817.31
IUPAC Name3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc3c2oc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)CC1
InChIInChI=1S/C60H39N3O/c1-2-17-41(18-3-1)61-54-29-11-8-24-48(54)50-35-39(32-33-57(50)61)43-25-15-26-49-51-36-40(38-16-14-19-42(34-38)62-52-27-9-4-20-44(52)45-21-5-10-28-53(45)62)37-58(60(51)64-59(43)49)63-55-30-12-6-22-46(55)47-23-7-13-31-56(47)63/h1-6,8-22,24-37H,7,23H2
InChIKeyLPJCOIAECHMJOR-UHFFFAOYSA-N
XLogP16.02
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156828
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
CID 71135736
4-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]-5-(3,4-dihydrocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 167280735
9-(6-carbazol-9-yldibenzofuran-2-yl)-3-(8-carbazol-9-yldibenzofuran-4-yl)carbazole;3-[6-[9-(6-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[6-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 159668391

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole (CID 163750237) is 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole is C1=Cc2c(c3ccccc3n2-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc3c2oc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)CC1.
What is the InChIKey of 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
The InChIKey is LPJCOIAECHMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O/c1-2-17-41(18-3-1)61-54-29-11-8-24-48(54)50-35-39(32-33-57(50)61)43-25-15-26-49-51-36-40(38-16-14-19-42(34-38)62-52-27-9-4-20-44(52)45-21-5-10-28-53(45)62)37-58(60(51)64-59(43)49)63-55-30-12-6-22-46(55)47-23-7-13-31-56(47)63/h1-6,8-22,24-37H,7,23H2.
What are the key properties of 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 817.99 g/mol, XLogP of 16.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 163750237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).