9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene

C74H47NO4 — CID 162091058

IUPAC9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
SMILESCc1cccc2c1oc1ccc(-c3cccc4oc5ccccc5c34)cc12.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)oc1cccc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)c12
InChIInChI=1S/C36H21NO2.C25H16O2.C13H10/c1-4-14-29-24(9-1)25-10-2-5-15-30(25)37(29)31-16-7-13-26-28-21-22(19-20-33(28)39-36(26)31)23-12-8-18-34-35(23)27-11-3-6-17-32(27)38-34;1-15-6-4-9-18-20-14-16(12-13-22(20)27-25(15)18)17-8-5-11-23-24(17)19-7-2-3-10-21(19)26-23;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-21H;2-14H,1H3;1-8H,9H2
InChIKeyZDPQDZUTFFOLSD-UHFFFAOYSA-N
MW1014.19 g/mol
LogP20.97
Rot. Bonds3

About 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene

9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene (PubChem CID 162091058) has the molecular formula C74H47NO4 and a molecular weight of 1014.19 g/mol. Its IUPAC name is 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene.

Molecular Properties

Compound Name9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
PubChem CID162091058
Molecular FormulaC74H47NO4
Molecular Weight1014.19 g/mol
Exact Mass1013.35
IUPAC Name9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
SMILESCc1cccc2c1oc1ccc(-c3cccc4oc5ccccc5c34)cc12.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)oc1cccc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)c12
InChIInChI=1S/C36H21NO2.C25H16O2.C13H10/c1-4-14-29-24(9-1)25-10-2-5-15-30(25)37(29)31-16-7-13-26-28-21-22(19-20-33(28)39-36(26)31)23-12-8-18-34-35(23)27-11-3-6-17-32(27)38-34;1-15-6-4-9-18-20-14-16(12-13-22(20)27-25(15)18)17-8-5-11-23-24(17)19-7-2-3-10-21(19)26-23;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-21H;2-14H,1H3;1-8H,9H2
InChIKeyZDPQDZUTFFOLSD-UHFFFAOYSA-N
XLogP20.97
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.19
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
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-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
CID 144729931
CID 144729931
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 177077333
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene?
The IUPAC name of 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene (CID 162091058) is 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene.
What is the SMILES notation for 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene?
The canonical SMILES for 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene is Cc1cccc2c1oc1ccc(-c3cccc4oc5ccccc5c34)cc12.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)oc1cccc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)c12.
What is the InChIKey of 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene?
The InChIKey is ZDPQDZUTFFOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NO2.C25H16O2.C13H10/c1-4-14-29-24(9-1)25-10-2-5-15-30(25)37(29)31-16-7-13-26-28-21-22(19-20-33(28)39-36(26)31)23-12-8-18-34-35(23)27-11-3-6-17-32(27)38-34;1-15-6-4-9-18-20-14-16(12-13-22(20)27-25(15)18)17-8-5-11-23-24(17)19-7-2-3-10-21(19)26-23;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-21H;2-14H,1H3;1-8H,9H2.
What are the key properties of 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene?
9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene has a molecular weight of 1014.19 g/mol, XLogP of 20.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene is sourced from PubChem (CID 162091058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).