4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile

C46H27N3 — CID 167336451

IUPAC4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1
InChIInChI=1S/C46H27N3/c47-28-30-26-34(29-48)46(49-42-20-10-8-14-35(42)36-15-9-11-21-43(36)49)41(27-30)31-22-24-33(25-23-31)45-39-18-6-4-16-37(39)44(32-12-2-1-3-13-32)38-17-5-7-19-40(38)45/h1-27H
InChIKeySEUASFSTKBIQPS-UHFFFAOYSA-N
MW621.74 g/mol
LogP11.83
Rot. Bonds4

About 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile

4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 167336451) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID167336451
Molecular FormulaC46H27N3
Molecular Weight621.74 g/mol
Exact Mass621.22
IUPAC Name4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1
InChIInChI=1S/C46H27N3/c47-28-30-26-34(29-48)46(49-42-20-10-8-14-35(42)36-15-9-11-21-43(36)49)41(27-30)31-22-24-33(25-23-31)45-39-18-6-4-16-37(39)44(32-12-2-1-3-13-32)38-17-5-7-19-40(38)45/h1-27H
InChIKeySEUASFSTKBIQPS-UHFFFAOYSA-N
XLogP11.83
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
4-[5-(4-cyanophenyl)-2,4-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-3-phenylphenyl]benzonitrile
CID 151871982
2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336282
3-(4-carbazol-9-ylphenyl)-5-isocyano-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336190
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile
CID 175219321
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
4-[9-[4-cyano-2,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 156511307

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile (CID 167336451) is 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1.
What is the InChIKey of 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is SEUASFSTKBIQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c47-28-30-26-34(29-48)46(49-42-20-10-8-14-35(42)36-15-9-11-21-43(36)49)41(27-30)31-22-24-33(25-23-31)45-39-18-6-4-16-37(39)44(32-12-2-1-3-13-32)38-17-5-7-19-40(38)45/h1-27H.
What are the key properties of 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile?
4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 621.74 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 167336451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).