3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole

C46H27NO — CID 122434706

IUPAC3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C46H27NO/c1-2-9-31(10-3-1)47-42-22-17-28(29-19-24-45-41(26-29)35-13-6-7-16-44(35)48-45)25-39(42)40-27-30(18-23-43(40)47)32-20-21-38-34-12-5-4-11-33(34)37-15-8-14-36(32)46(37)38/h1-27H
InChIKeyUBMKETUUROAQEP-UHFFFAOYSA-N
MW609.73 g/mol
LogP12.82
Rot. Bonds3

About 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole

3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole (PubChem CID 122434706) has the molecular formula C46H27NO and a molecular weight of 609.73 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
PubChem CID122434706
Molecular FormulaC46H27NO
Molecular Weight609.73 g/mol
Exact Mass609.21
IUPAC Name3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C46H27NO/c1-2-9-31(10-3-1)47-42-22-17-28(29-19-24-45-41(26-29)35-13-6-7-16-44(35)48-45)25-39(42)40-27-30(18-23-43(40)47)32-20-21-38-34-12-5-4-11-33(34)37-15-8-14-36(32)46(37)38/h1-27H
InChIKeyUBMKETUUROAQEP-UHFFFAOYSA-N
XLogP12.82
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole (CID 122434706) is 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole?
The InChIKey is UBMKETUUROAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO/c1-2-9-31(10-3-1)47-42-22-17-28(29-19-24-45-41(26-29)35-13-6-7-16-44(35)48-45)25-39(42)40-27-30(18-23-43(40)47)32-20-21-38-34-12-5-4-11-33(34)37-15-8-14-36(32)46(37)38/h1-27H.
What are the key properties of 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole?
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole has a molecular weight of 609.73 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole is sourced from PubChem (CID 122434706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).