4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile

C32H18N4O2 — CID 174178952

IUPAC4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile
SMILESN#Cc1ccc(-c2c3[nH]c4ccc(O)cc4c3c(-c3ccc(C#N)cc3)c3[nH]c4ccc(O)cc4c23)cc1
InChIInChI=1S/C32H18N4O2/c33-15-17-1-5-19(6-2-17)27-29-23-13-21(37)9-11-25(23)36-32(29)28(20-7-3-18(16-34)4-8-20)30-24-14-22(38)10-12-26(24)35-31(27)30/h1-14,35-38H
InChIKeyFTRGXFTZIGDHSD-UHFFFAOYSA-N
MW490.52 g/mol
LogP7.44
Rot. Bonds2

About 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile

4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile (PubChem CID 174178952) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile
PubChem CID174178952
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile
SMILESN#Cc1ccc(-c2c3[nH]c4ccc(O)cc4c3c(-c3ccc(C#N)cc3)c3[nH]c4ccc(O)cc4c23)cc1
InChIInChI=1S/C32H18N4O2/c33-15-17-1-5-19(6-2-17)27-29-23-13-21(37)9-11-25(23)36-32(29)28(20-7-3-18(16-34)4-8-20)30-24-14-22(38)10-12-26(24)35-31(27)30/h1-14,35-38H
InChIKeyFTRGXFTZIGDHSD-UHFFFAOYSA-N
XLogP7.44
TPSA119.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 57.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile?
The IUPAC name of 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile (CID 174178952) is 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile.
What is the SMILES notation for 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile?
The canonical SMILES for 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile is N#Cc1ccc(-c2c3[nH]c4ccc(O)cc4c3c(-c3ccc(C#N)cc3)c3[nH]c4ccc(O)cc4c23)cc1.
What is the InChIKey of 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile?
The InChIKey is FTRGXFTZIGDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c33-15-17-1-5-19(6-2-17)27-29-23-13-21(37)9-11-25(23)36-32(29)28(20-7-3-18(16-34)4-8-20)30-24-14-22(38)10-12-26(24)35-31(27)30/h1-14,35-38H.
What are the key properties of 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile?
4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile has a molecular weight of 490.52 g/mol, XLogP of 7.44, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile is sourced from PubChem (CID 174178952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).