3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile

C36H25N3O — CID 155299740

IUPAC3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile
SMILESC/C=C\c1c(C)c2ccccc2n1-c1c(-c2ccc3oc4ccccc4c3c2)ccc(-c2cccnc2)c1C#N
InChIInChI=1S/C36H25N3O/c1-3-9-32-23(2)26-11-4-6-13-33(26)39(32)36-28(17-16-27(31(36)21-37)25-10-8-19-38-22-25)24-15-18-35-30(20-24)29-12-5-7-14-34(29)40-35/h3-20,22H,1-2H3/b9-3-
InChIKeyQWZWEQAKGYYGTH-OQFOIZHKSA-N
MW515.62 g/mol
LogP9.47
Rot. Bonds4

About 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile

3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile (PubChem CID 155299740) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile
PubChem CID155299740
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile
SMILESC/C=C\c1c(C)c2ccccc2n1-c1c(-c2ccc3oc4ccccc4c3c2)ccc(-c2cccnc2)c1C#N
InChIInChI=1S/C36H25N3O/c1-3-9-32-23(2)26-11-4-6-13-33(26)39(32)36-28(17-16-27(31(36)21-37)25-10-8-19-38-22-25)24-15-18-35-30(20-24)29-12-5-7-14-34(29)40-35/h3-20,22H,1-2H3/b9-3-
InChIKeyQWZWEQAKGYYGTH-OQFOIZHKSA-N
XLogP9.47
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile?
The IUPAC name of 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile (CID 155299740) is 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile?
The canonical SMILES for 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile is C/C=C\c1c(C)c2ccccc2n1-c1c(-c2ccc3oc4ccccc4c3c2)ccc(-c2cccnc2)c1C#N.
What is the InChIKey of 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile?
The InChIKey is QWZWEQAKGYYGTH-OQFOIZHKSA-N. The full InChI is InChI=1S/C36H25N3O/c1-3-9-32-23(2)26-11-4-6-13-33(26)39(32)36-28(17-16-27(31(36)21-37)25-10-8-19-38-22-25)24-15-18-35-30(20-24)29-12-5-7-14-34(29)40-35/h3-20,22H,1-2H3/b9-3-.
What are the key properties of 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile?
3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile has a molecular weight of 515.62 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 155299740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).