Skip to content

Penta-carbazolylbenzonitrile

C67H40N6 — CID 151431468

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,3,4,5,6-pentakis(9H-carbazol-1-yl)benzonitrile
SMILESN#Cc1c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C67H40N6/c68-36-52-58(47-26-11-21-42-37-16-1-6-31-53(37)69-63(42)47)60(49-28-13-23-44-39-18-3-8-33-55(39)71-65(44)49)62(51-30-15-25-46-41-20-5-10-35-57(41)73-67(46)51)61(50-29-14-24-45-40-19-4-9-34-56(40)72-66(45)50)59(52)48-27-12-22-43-38-17-2-7-32-54(38)70-64(43)48/h1-35,69-73H
InChIKeyPCPICZYEFFTANH-UHFFFAOYSA-N
MW929.10 g/mol
LogP18.07
Rot. Bonds5

About Penta-carbazolylbenzonitrile

Penta-carbazolylbenzonitrile (PubChem CID 151431468) has the molecular formula C67H40N6 and a molecular weight of 929.10 g/mol. Its IUPAC name is 2,3,4,5,6-pentakis(9H-carbazol-1-yl)benzonitrile.

Molecular Properties

Compound NamePenta-carbazolylbenzonitrile
PubChem CID151431468
Molecular FormulaC67H40N6
Molecular Weight929.10 g/mol
Exact Mass928.33
IUPAC Name2,3,4,5,6-pentakis(9H-carbazol-1-yl)benzonitrile
SMILESN#Cc1c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C67H40N6/c68-36-52-58(47-26-11-21-42-37-16-1-6-31-53(37)69-63(42)47)60(49-28-13-23-44-39-18-3-8-33-55(39)71-65(44)49)62(51-30-15-25-46-41-20-5-10-35-57(41)73-67(46)51)61(50-29-14-24-45-40-19-4-9-34-56(40)72-66(45)50)59(52)48-27-12-22-43-38-17-2-7-32-54(38)70-64(43)48/h1-35,69-73H
InChIKeyPCPICZYEFFTANH-UHFFFAOYSA-N
XLogP18.07
TPSA102.74 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.10
LogP ≤ 518.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Analyze Penta-carbazolylbenzonitrile 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 Penta-carbazolylbenzonitrile?
The IUPAC name of Penta-carbazolylbenzonitrile (CID 151431468) is 2,3,4,5,6-pentakis(9H-carbazol-1-yl)benzonitrile.
What is the SMILES notation for Penta-carbazolylbenzonitrile?
The canonical SMILES for Penta-carbazolylbenzonitrile is N#Cc1c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of Penta-carbazolylbenzonitrile?
The InChIKey is PCPICZYEFFTANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N6/c68-36-52-58(47-26-11-21-42-37-16-1-6-31-53(37)69-63(42)47)60(49-28-13-23-44-39-18-3-8-33-55(39)71-65(44)49)62(51-30-15-25-46-41-20-5-10-35-57(41)73-67(46)51)61(50-29-14-24-45-40-19-4-9-34-56(40)72-66(45)50)59(52)48-27-12-22-43-38-17-2-7-32-54(38)70-64(43)48/h1-35,69-73H.
What are the key properties of Penta-carbazolylbenzonitrile?
Penta-carbazolylbenzonitrile has a molecular weight of 929.10 g/mol, XLogP of 18.07, 5 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Penta-carbazolylbenzonitrile is sourced from PubChem (CID 151431468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.