9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile

C37H21N3O — CID 118396651

IUPAC9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1ccccc1n2-c1cccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c12
InChIInChI=1S/C37H21N3O/c38-22-23-10-7-18-31-35(23)26-13-3-6-17-30(26)40(31)32-19-9-21-34-36(32)27-14-8-20-33(37(27)41-34)39-28-15-4-1-11-24(28)25-12-2-5-16-29(25)39/h1-21H
InChIKeyCYLCYMRFKVTORL-UHFFFAOYSA-N
MW523.60 g/mol
LogP9.65
Rot. Bonds2

About 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile

9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile (PubChem CID 118396651) has the molecular formula C37H21N3O and a molecular weight of 523.60 g/mol. Its IUPAC name is 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile
PubChem CID118396651
Molecular FormulaC37H21N3O
Molecular Weight523.60 g/mol
Exact Mass523.17
IUPAC Name9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1ccccc1n2-c1cccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c12
InChIInChI=1S/C37H21N3O/c38-22-23-10-7-18-31-35(23)26-13-3-6-17-30(26)40(31)32-19-9-21-34-36(32)27-14-8-20-33(37(27)41-34)39-28-15-4-1-11-24(28)25-12-2-5-16-29(25)39/h1-21H
InChIKeyCYLCYMRFKVTORL-UHFFFAOYSA-N
XLogP9.65
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
CID 126754808
12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile
CID 164765308
9-(6-cyanodibenzofuran-2-yl)carbazole-4-carbonitrile
CID 122501072
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile?
The IUPAC name of 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile (CID 118396651) is 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile.
What is the SMILES notation for 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile?
The canonical SMILES for 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile is N#Cc1cccc2c1c1ccccc1n2-c1cccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c12.
What is the InChIKey of 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile?
The InChIKey is CYLCYMRFKVTORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O/c38-22-23-10-7-18-31-35(23)26-13-3-6-17-30(26)40(31)32-19-9-21-34-36(32)27-14-8-20-33(37(27)41-34)39-28-15-4-1-11-24(28)25-12-2-5-16-29(25)39/h1-21H.
What are the key properties of 9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile?
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile has a molecular weight of 523.60 g/mol, XLogP of 9.65, 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-1-yl)carbazole-4-carbonitrile is sourced from PubChem (CID 118396651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).