9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile

C43H24N2O2 — CID 149059833

IUPAC9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-c3ccccc3)ccc(-c3ccc4oc5ccccc5c4c3)c12
InChIInChI=1S/C43H24N2O2/c44-25-26-17-21-37-34(23-26)31-11-4-6-14-36(31)45(37)38-15-8-13-33-41-29(19-20-30(43(41)47-42(33)38)27-9-2-1-3-10-27)28-18-22-40-35(24-28)32-12-5-7-16-39(32)46-40/h1-24H
InChIKeyQLNYUZOROZPDQL-UHFFFAOYSA-N
MW600.68 g/mol
LogP11.79
Rot. Bonds3

About 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile

9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile (PubChem CID 149059833) has the molecular formula C43H24N2O2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
PubChem CID149059833
Molecular FormulaC43H24N2O2
Molecular Weight600.68 g/mol
Exact Mass600.18
IUPAC Name9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-c3ccccc3)ccc(-c3ccc4oc5ccccc5c4c3)c12
InChIInChI=1S/C43H24N2O2/c44-25-26-17-21-37-34(23-26)31-11-4-6-14-36(31)45(37)38-15-8-13-33-41-29(19-20-30(43(41)47-42(33)38)27-9-2-1-3-10-27)28-18-22-40-35(24-28)32-12-5-7-16-39(32)46-40/h1-24H
InChIKeyQLNYUZOROZPDQL-UHFFFAOYSA-N
XLogP11.79
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 147486433
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile (CID 149059833) is 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-c3ccccc3)ccc(-c3ccc4oc5ccccc5c4c3)c12.
What is the InChIKey of 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
The InChIKey is QLNYUZOROZPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2/c44-25-26-17-21-37-34(23-26)31-11-4-6-14-36(31)45(37)38-15-8-13-33-41-29(19-20-30(43(41)47-42(33)38)27-9-2-1-3-10-27)28-18-22-40-35(24-28)32-12-5-7-16-39(32)46-40/h1-24H.
What are the key properties of 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile?
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile has a molecular weight of 600.68 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 149059833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).