3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile

C45H28N2 — CID 88924744

IUPAC3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C45H28N2/c46-29-30-25-34(33-23-24-40-38-19-8-7-17-36(38)37-18-9-10-20-39(37)42(40)28-33)27-35(26-30)47-43-22-12-11-21-41(43)44(31-13-3-1-4-14-31)45(47)32-15-5-2-6-16-32/h1-28H
InChIKeyFDNHPYMUSXKJEH-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.96
Rot. Bonds4

About 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile

3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile (PubChem CID 88924744) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile.

Molecular Properties

Compound Name3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile
PubChem CID88924744
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C45H28N2/c46-29-30-25-34(33-23-24-40-38-19-8-7-17-36(38)37-18-9-10-20-39(37)42(40)28-33)27-35(26-30)47-43-22-12-11-21-41(43)44(31-13-3-1-4-14-31)45(47)32-15-5-2-6-16-32/h1-28H
InChIKeyFDNHPYMUSXKJEH-UHFFFAOYSA-N
XLogP11.96
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
CID 126620765
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 147853165
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
3-carbazol-9-yl-2-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]benzonitrile
CID 155079904
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
CID 140922346
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile?
The IUPAC name of 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile (CID 88924744) is 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile.
What is the SMILES notation for 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile?
The canonical SMILES for 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile is N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile?
The InChIKey is FDNHPYMUSXKJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c46-29-30-25-34(33-23-24-40-38-19-8-7-17-36(38)37-18-9-10-20-39(37)42(40)28-33)27-35(26-30)47-43-22-12-11-21-41(43)44(31-13-3-1-4-14-31)45(47)32-15-5-2-6-16-32/h1-28H.
What are the key properties of 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile?
3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile has a molecular weight of 596.73 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile is sourced from PubChem (CID 88924744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).