2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole

C52H30N2O — CID 70659172

IUPAC2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6oc6ccccc67)cc54)ccc-2c13
InChIInChI=1S/C52H30N2O/c1-2-12-34-33(11-1)39-16-9-18-42-46(28-26-40(34)51(39)42)54-44-19-6-3-13-35(44)37-25-23-32(30-49(37)54)31-24-27-47-43(29-31)36-14-4-7-20-45(36)53(47)48-21-10-17-41-38-15-5-8-22-50(38)55-52(41)48/h1-30H
InChIKeySXLINFJLIBDYMR-UHFFFAOYSA-N
MW698.83 g/mol
LogP14.25
Rot. Bonds3

About 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole

2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole (PubChem CID 70659172) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
PubChem CID70659172
Molecular FormulaC52H30N2O
Molecular Weight698.83 g/mol
Exact Mass698.24
IUPAC Name2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6oc6ccccc67)cc54)ccc-2c13
InChIInChI=1S/C52H30N2O/c1-2-12-34-33(11-1)39-16-9-18-42-46(28-26-40(34)51(39)42)54-44-19-6-3-13-35(44)37-25-23-32(30-49(37)54)31-24-27-47-43(29-31)36-14-4-7-20-45(36)53(47)48-21-10-17-41-38-15-5-8-22-50(38)55-52(41)48/h1-30H
InChIKeySXLINFJLIBDYMR-UHFFFAOYSA-N
XLogP14.25
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.83
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594574
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 126753261
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole (CID 70659172) is 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole is c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6oc6ccccc67)cc54)ccc-2c13.
What is the InChIKey of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
The InChIKey is SXLINFJLIBDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O/c1-2-12-34-33(11-1)39-16-9-18-42-46(28-26-40(34)51(39)42)54-44-19-6-3-13-35(44)37-25-23-32(30-49(37)54)31-24-27-47-43(29-31)36-14-4-7-20-45(36)53(47)48-21-10-17-41-38-15-5-8-22-50(38)55-52(41)48/h1-30H.
What are the key properties of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole has a molecular weight of 698.83 g/mol, XLogP of 14.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole is sourced from PubChem (CID 70659172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).