9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane

C45H43N3O — CID 145345110

IUPAC9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
SMILESCC.CCC.CCC.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1
InChIInChI=1S/C37H21N3O.2C3H8.C2H6/c38-22-23-16-18-34-29(20-23)27-10-3-4-12-31(27)39(34)24-17-19-36-30(21-24)28-11-7-15-35(37(28)41-36)40-32-13-5-1-8-25(32)26-9-2-6-14-33(26)40;2*1-3-2;1-2/h1-21H;2*3H2,1-2H3;1-2H3
InChIKeyJSTFGXBYXUGXAU-UHFFFAOYSA-N
MW641.86 g/mol
LogP13.51
Rot. Bonds2

About 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane

9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane (PubChem CID 145345110) has the molecular formula C45H43N3O and a molecular weight of 641.86 g/mol. Its IUPAC name is 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane.

Molecular Properties

Compound Name9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
PubChem CID145345110
Molecular FormulaC45H43N3O
Molecular Weight641.86 g/mol
Exact Mass641.34
IUPAC Name9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
SMILESCC.CCC.CCC.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1
InChIInChI=1S/C37H21N3O.2C3H8.C2H6/c38-22-23-16-18-34-29(20-23)27-10-3-4-12-31(27)39(34)24-17-19-36-30(21-24)28-11-7-15-35(37(28)41-36)40-32-13-5-1-8-25(32)26-9-2-6-14-33(26)40;2*1-3-2;1-2/h1-21H;2*3H2,1-2H3;1-2H3
InChIKeyJSTFGXBYXUGXAU-UHFFFAOYSA-N
XLogP13.51
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.86
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
CID 145179110
9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 145345342
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane?
The IUPAC name of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane (CID 145345110) is 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane.
What is the SMILES notation for 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane?
The canonical SMILES for 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane is CC.CCC.CCC.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.
What is the InChIKey of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane?
The InChIKey is JSTFGXBYXUGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O.2C3H8.C2H6/c38-22-23-16-18-34-29(20-23)27-10-3-4-12-31(27)39(34)24-17-19-36-30(21-24)28-11-7-15-35(37(28)41-36)40-32-13-5-1-8-25(32)26-9-2-6-14-33(26)40;2*1-3-2;1-2/h1-21H;2*3H2,1-2H3;1-2H3.
What are the key properties of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane?
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane has a molecular weight of 641.86 g/mol, XLogP of 13.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane is sourced from PubChem (CID 145345110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).