4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile

C36H20N4 — CID 121329133

IUPAC4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc4ccccc4cc32)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H20N4/c37-21-25-17-18-34(30(22-38)36(25)40-32-15-7-3-11-26(32)27-12-4-8-16-33(27)40)39-31-14-6-5-13-28(31)29-19-23-9-1-2-10-24(23)20-35(29)39/h1-20H
InChIKeyGGRICFFUQUNISP-UHFFFAOYSA-N
MW508.58 g/mol
LogP8.78
Rot. Bonds2

About 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile

4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile (PubChem CID 121329133) has the molecular formula C36H20N4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
PubChem CID121329133
Molecular FormulaC36H20N4
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc4ccccc4cc32)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H20N4/c37-21-25-17-18-34(30(22-38)36(25)40-32-15-7-3-11-26(32)27-12-4-8-16-33(27)40)39-31-14-6-5-13-28(31)29-19-23-9-1-2-10-24(23)20-35(29)39/h1-20H
InChIKeyGGRICFFUQUNISP-UHFFFAOYSA-N
XLogP8.78
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis([1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 163559346
4-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile
CID 153462231
3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 166572147
2-(3,6-difluorocarbazol-9-yl)-4-(11-phenylindolo[2,3-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 118927757
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
2,4-bis([1]benzofuro[3,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572233
4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
2,3-bis(benzo[b]carbazol-5-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369012
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633

Frequently Asked Questions

What is the IUPAC name of 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile (CID 121329133) is 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc4ccccc4cc32)c(C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile?
The InChIKey is GGRICFFUQUNISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4/c37-21-25-17-18-34(30(22-38)36(25)40-32-15-7-3-11-26(32)27-12-4-8-16-33(27)40)39-31-14-6-5-13-28(31)29-19-23-9-1-2-10-24(23)20-35(29)39/h1-20H.
What are the key properties of 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile?
4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile has a molecular weight of 508.58 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 121329133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).