5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile

C44H24N4O — CID 129290870

IUPAC5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(C#N)c2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H24N4O/c45-25-29-21-27(17-19-37(29)47-39-13-5-1-9-31(39)32-10-2-6-14-40(32)47)28-18-20-38(30(22-28)26-46)48-41-15-7-3-11-33(41)35-24-44-36(23-42(35)48)34-12-4-8-16-43(34)49-44/h1-24H
InChIKeySKBHZUCQLOUUJE-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile

5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile (PubChem CID 129290870) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
PubChem CID129290870
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(C#N)c2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H24N4O/c45-25-29-21-27(17-19-37(29)47-39-13-5-1-9-31(39)32-10-2-6-14-40(32)47)28-18-20-38(30(22-28)26-46)48-41-15-7-3-11-33(41)35-24-44-36(23-42(35)48)34-12-4-8-16-43(34)49-44/h1-24H
InChIKeySKBHZUCQLOUUJE-UHFFFAOYSA-N
XLogP11.19
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.70
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The IUPAC name of 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile (CID 129290870) is 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The canonical SMILES for 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(C#N)c2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The InChIKey is SKBHZUCQLOUUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-29-21-27(17-19-37(29)47-39-13-5-1-9-31(39)32-10-2-6-14-40(32)47)28-18-20-38(30(22-28)26-46)48-41-15-7-3-11-33(41)35-24-44-36(23-42(35)48)34-12-4-8-16-43(34)49-44/h1-24H.
What are the key properties of 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile has a molecular weight of 624.70 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 129290870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).