2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile

C32H18N4 — CID 155081196

IUPAC2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1c2[nH]c3ccccc3c2c(-c2ccccc2C#N)c2[nH]c3ccccc3c12
InChIInChI=1S/C32H18N4/c33-17-19-9-1-3-11-21(19)27-29-23-13-5-7-15-25(23)36-32(29)28(22-12-4-2-10-20(22)18-34)30-24-14-6-8-16-26(24)35-31(27)30/h1-16,35-36H
InChIKeyPAXMEKRHGBQIKU-UHFFFAOYSA-N
MW458.52 g/mol
LogP8.03
Rot. Bonds2

About 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile

2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile (PubChem CID 155081196) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
PubChem CID155081196
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1c2[nH]c3ccccc3c2c(-c2ccccc2C#N)c2[nH]c3ccccc3c12
InChIInChI=1S/C32H18N4/c33-17-19-9-1-3-11-21(19)27-29-23-13-5-7-15-25(23)36-32(29)28(22-12-4-2-10-20(22)18-34)30-24-14-6-8-16-26(24)35-31(27)30/h1-16,35-36H
InChIKeyPAXMEKRHGBQIKU-UHFFFAOYSA-N
XLogP8.03
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile?
The IUPAC name of 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile (CID 155081196) is 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile.
What is the SMILES notation for 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile?
The canonical SMILES for 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile is N#Cc1ccccc1-c1c2[nH]c3ccccc3c2c(-c2ccccc2C#N)c2[nH]c3ccccc3c12.
What is the InChIKey of 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile?
The InChIKey is PAXMEKRHGBQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c33-17-19-9-1-3-11-21(19)27-29-23-13-5-7-15-25(23)36-32(29)28(22-12-4-2-10-20(22)18-34)30-24-14-6-8-16-26(24)35-31(27)30/h1-16,35-36H.
What are the key properties of 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile?
2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile has a molecular weight of 458.52 g/mol, XLogP of 8.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile is sourced from PubChem (CID 155081196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).