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

Name: 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₆H₂₁N₃O — CID 126577711

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile

SMILESN#Cc1c(-c2cccnc2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21

InChIInChI=1S/C36H21N3O/c37-21-31-25(24-8-7-19-38-22-24)16-17-26(23-15-18-35-30(20-23)29-11-3-6-14-34(29)40-35)36(31)39-32-12-4-1-9-27(32)28-10-2-5-13-33(28)39/h1-20,22H

InChIKeyHOCYLJREGFFLHT-UHFFFAOYSA-N

MW511.58 g/mol

LogP9.28

Rot. Bonds3

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

2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile (PubChem CID 126577711) 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-3-ylbenzonitrile.

Molecular Properties

Compound Name	2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile
PubChem CID	126577711
Molecular Formula	C₃₆H₂₁N₃O
Molecular Weight	511.58 g/mol
Exact Mass	511.17
IUPAC Name	2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile
SMILES	N#Cc1c(-c2cccnc2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChI	InChI=1S/C36H21N3O/c37-21-31-25(24-8-7-19-38-22-24)16-17-26(23-15-18-35-30(20-23)29-11-3-6-14-34(29)40-35)36(31)39-32-12-4-1-9-27(32)28-10-2-5-13-33(28)39/h1-20,22H
InChIKey	HOCYLJREGFFLHT-UHFFFAOYSA-N
XLogP	9.28
TPSA	54.75 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile?

The IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile (CID 126577711) is 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile.

What is the SMILES notation for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile?

The canonical SMILES for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile is N#Cc1c(-c2cccnc2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile?

The InChIKey is HOCYLJREGFFLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c37-21-31-25(24-8-7-19-38-22-24)16-17-26(23-15-18-35-30(20-23)29-11-3-6-14-34(29)40-35)36(31)39-32-12-4-1-9-27(32)28-10-2-5-13-33(28)39/h1-20,22H.

What are the key properties of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-ylbenzonitrile?

2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-3-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-3-ylbenzonitrile is sourced from PubChem (CID 126577711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126577711 — identifiers, structure, computed properties (public domain)

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