2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile

C36H21N3O — CID 126577713

IUPAC2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccncc2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H21N3O/c37-22-31-25(23-17-19-38-20-18-23)14-15-26(24-13-16-35-30(21-24)29-9-3-6-12-34(29)40-35)36(31)39-32-10-4-1-7-27(32)28-8-2-5-11-33(28)39/h1-21H
InChIKeyYJIOBCWNOPOECK-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.28
Rot. Bonds3

About 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile

2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile (PubChem CID 126577713) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile
PubChem CID126577713
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccncc2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H21N3O/c37-22-31-25(23-17-19-38-20-18-23)14-15-26(24-13-16-35-30(21-24)29-9-3-6-12-34(29)40-35)36(31)39-32-10-4-1-7-27(32)28-8-2-5-11-33(28)39/h1-21H
InChIKeyYJIOBCWNOPOECK-UHFFFAOYSA-N
XLogP9.28
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpiperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile
CID 23627212
5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485748
4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-ylmethyl)benzofuran-2-yl)nicotinonitrile
CID 44626360
5-(5-((cyclohexylamino)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485719
4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-ylmethyl)benzofuran-2-yl)nicotinonitrile
CID 45485731
5-(5-((dimethylamino)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485732
4-(4-methyl-1H-indol-5-ylamino)-5-(5-(pyrrolidin-1-ylmethyl)benzofuran-2-yl)nicotinonitrile
CID 45485738
5-(5-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485762
3-[[6-[1-[(4-Methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 53345708
2-[3-(1-Methylindol-6-yl)-6-oxoxanthen-9-yl]benzoic acid
CID 70693084
3-[[6-[1-[[4-(Phenoxymethyl)phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682151
3-[[6-[1-[[4-(2-Fluorophenoxy)phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682152

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile (CID 126577713) is 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile is N#Cc1c(-c2ccncc2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile?
The InChIKey is YJIOBCWNOPOECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c37-22-31-25(23-17-19-38-20-18-23)14-15-26(24-13-16-35-30(21-24)29-9-3-6-12-34(29)40-35)36(31)39-32-10-4-1-7-27(32)28-8-2-5-11-33(28)39/h1-21H.
What are the key properties of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile?
2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile has a molecular weight of 511.58 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 126577713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).