2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile

C55H33N5 — CID 155131709

IUPAC2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C55H33N5/c56-34-43-52-51(42-26-10-17-33-50(42)57(52)35-18-2-1-3-19-35)54(59-46-29-13-6-22-38(46)39-23-7-14-30-47(39)59)55(60-48-31-15-8-24-40(48)41-25-9-16-32-49(41)60)53(43)58-44-27-11-4-20-36(44)37-21-5-12-28-45(37)58/h1-33H
InChIKeyOHMRBKHINPVEFE-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.95
Rot. Bonds4

About 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile

2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile (PubChem CID 155131709) has the molecular formula C55H33N5 and a molecular weight of 763.90 g/mol. Its IUPAC name is 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile.

Molecular Properties

Compound Name2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
PubChem CID155131709
Molecular FormulaC55H33N5
Molecular Weight763.90 g/mol
Exact Mass763.27
IUPAC Name2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C55H33N5/c56-34-43-52-51(42-26-10-17-33-50(42)57(52)35-18-2-1-3-19-35)54(59-46-29-13-6-22-38(46)39-23-7-14-30-47(39)59)55(60-48-31-15-8-24-40(48)41-25-9-16-32-49(41)60)53(43)58-44-27-11-4-20-36(44)37-21-5-12-28-45(37)58/h1-33H
InChIKeyOHMRBKHINPVEFE-UHFFFAOYSA-N
XLogP13.95
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131704
2,4,5-tri(carbazol-9-yl)-3-isocyano-6-(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 162486195
4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166855916
2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163524007
2,5-di(carbazol-9-yl)-6-isocyano-3,4-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;4,5-di(carbazol-9-yl)-2-isocyano-3,6-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 163788156
2,3,4,5-tetra(carbazol-9-yl)-6-methylbenzonitrile
CID 152927198
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163573400
2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
The IUPAC name of 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile (CID 155131709) is 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile.
What is the SMILES notation for 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
The canonical SMILES for 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
The InChIKey is OHMRBKHINPVEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5/c56-34-43-52-51(42-26-10-17-33-50(42)57(52)35-18-2-1-3-19-35)54(59-46-29-13-6-22-38(46)39-23-7-14-30-47(39)59)55(60-48-31-15-8-24-40(48)41-25-9-16-32-49(41)60)53(43)58-44-27-11-4-20-36(44)37-21-5-12-28-45(37)58/h1-33H.
What are the key properties of 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile?
2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile has a molecular weight of 763.90 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile is sourced from PubChem (CID 155131709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).