2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile

Name: 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄₄H₂₉N₃S — CID 146351134

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

IUPAC2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile

SMILESN#Cc1cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N

InChIInChI=1S/C44H29N3S/c45-30-32-29-36(48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35)27-28-37(32)38-23-14-26-44(41(38)31-46)47-42-24-12-10-21-39(42)40-22-11-13-25-43(40)47/h1-29H

InChIKeyDFOVIBGFRCMNAY-UHFFFAOYSA-N

MW631.80 g/mol

LogP11.53

Rot. Bonds6

About 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile

2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile (PubChem CID 146351134) has the molecular formula C₄₄H₂₉N₃S and a molecular weight of 631.80 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile.

Molecular Properties

Compound Name	2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile
PubChem CID	146351134
Molecular Formula	C₄₄H₂₉N₃S
Molecular Weight	631.80 g/mol
Exact Mass	631.21
IUPAC Name	2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile
SMILES	N#Cc1cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N
InChI	InChI=1S/C44H29N3S/c45-30-32-29-36(48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35)27-28-37(32)38-23-14-26-44(41(38)31-46)47-42-24-12-10-21-39(42)40-22-11-13-25-43(40)47/h1-29H
InChIKey	DFOVIBGFRCMNAY-UHFFFAOYSA-N
XLogP	11.53
TPSA	52.51 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	48
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.80
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?

The IUPAC name of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile (CID 146351134) is 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile.

What is the SMILES notation for 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?

The canonical SMILES for 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile is N#Cc1cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N.

What is the InChIKey of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?

The InChIKey is DFOVIBGFRCMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3S/c45-30-32-29-36(48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35)27-28-37(32)38-23-14-26-44(41(38)31-46)47-42-24-12-10-21-39(42)40-22-11-13-25-43(40)47/h1-29H.

What are the key properties of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?

2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile has a molecular weight of 631.80 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile is sourced from PubChem (CID 146351134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146351134 — identifiers, structure, computed properties (public domain)

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