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

C52H30N2O — CID 70658954

IUPAC2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)cc54)ccc-2c13
InChIInChI=1S/C52H30N2O/c1-2-11-35-34(10-1)40-15-9-16-42-47(26-24-41(35)52(40)42)54-46-18-7-3-12-36(46)38-23-20-32(29-49(38)54)31-21-25-48-43(28-31)37-13-4-6-17-45(37)53(48)33-22-27-51-44(30-33)39-14-5-8-19-50(39)55-51/h1-30H
InChIKeyDKXDAUDEIXBPIS-UHFFFAOYSA-N
MW698.83 g/mol
LogP14.25
Rot. Bonds3

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

2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole (PubChem CID 70658954) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
PubChem CID70658954
Molecular FormulaC52H30N2O
Molecular Weight698.83 g/mol
Exact Mass698.24
IUPAC Name2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)cc54)ccc-2c13
InChIInChI=1S/C52H30N2O/c1-2-11-35-34(10-1)40-15-9-16-42-47(26-24-41(35)52(40)42)54-46-18-7-3-12-36(46)38-23-20-32(29-49(38)54)31-21-25-48-43(28-31)37-13-4-6-17-45(37)53(48)33-22-27-51-44(30-33)39-14-5-8-19-50(39)55-51/h1-30H
InChIKeyDKXDAUDEIXBPIS-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)-9-fluoranthen-3-ylcarbazole
CID 70659172
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594574
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
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
2-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole
CID 161056852
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole (CID 70658954) is 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole is c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)cc54)ccc-2c13.
What is the InChIKey of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
The InChIKey is DKXDAUDEIXBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O/c1-2-11-35-34(10-1)40-15-9-16-42-47(26-24-41(35)52(40)42)54-46-18-7-3-12-36(46)38-23-20-32(29-49(38)54)31-21-25-48-43(28-31)37-13-4-6-17-45(37)53(48)33-22-27-51-44(30-33)39-14-5-8-19-50(39)55-51/h1-30H.
What are the key properties of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole?
2-(9-dibenzofuran-2-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-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole is sourced from PubChem (CID 70658954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).