9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile

C44H24N4O — CID 129300325

IUPAC9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C44H24N4O/c45-25-27-20-22-39-35(24-27)30-12-2-6-17-37(30)48(39)43-28(26-46)10-9-15-32(43)29-11-1-5-16-36(29)47-38-18-7-3-14-34(38)42-40(47)23-21-33-31-13-4-8-19-41(31)49-44(33)42/h1-24H
InChIKeyRKKFJISUCITYOW-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile

9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 129300325) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile
PubChem CID129300325
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C44H24N4O/c45-25-27-20-22-39-35(24-27)30-12-2-6-17-37(30)48(39)43-28(26-46)10-9-15-32(43)29-11-1-5-16-36(29)47-38-18-7-3-14-34(38)42-40(47)23-21-33-31-13-4-8-19-41(31)49-44(33)42/h1-24H
InChIKeyRKKFJISUCITYOW-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 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile (CID 129300325) is 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is RKKFJISUCITYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-27-20-22-39-35(24-27)30-12-2-6-17-37(30)48(39)43-28(26-46)10-9-15-32(43)29-11-1-5-16-36(29)47-38-18-7-3-14-34(38)42-40(47)23-21-33-31-13-4-8-19-41(31)49-44(33)42/h1-24H.
What are the key properties of 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile 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 9-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 129300325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).