4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile

C52H28N6 — CID 145413454

IUPAC4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc-2c13
InChIInChI=1S/C52H28N6/c53-29-43-44(30-54)56-52-42-28-26-36(32-19-23-34(24-20-32)58-47-15-7-3-11-39(47)40-12-4-8-16-48(40)58)49-35(25-27-41(50(42)49)51(52)55-43)31-17-21-33(22-18-31)57-45-13-5-1-9-37(45)38-10-2-6-14-46(38)57/h1-28H
InChIKeyBCYVOPFWEOOIQV-UHFFFAOYSA-N
MW736.84 g/mol
LogP12.55
Rot. Bonds4

About 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile

4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile (PubChem CID 145413454) has the molecular formula C52H28N6 and a molecular weight of 736.84 g/mol. Its IUPAC name is 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
PubChem CID145413454
Molecular FormulaC52H28N6
Molecular Weight736.84 g/mol
Exact Mass736.24
IUPAC Name4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc-2c13
InChIInChI=1S/C52H28N6/c53-29-43-44(30-54)56-52-42-28-26-36(32-19-23-34(24-20-32)58-47-15-7-3-11-39(47)40-12-4-8-16-48(40)58)49-35(25-27-41(50(42)49)51(52)55-43)31-17-21-33(22-18-31)57-45-13-5-1-9-37(45)38-10-2-6-14-46(38)57/h1-28H
InChIKeyBCYVOPFWEOOIQV-UHFFFAOYSA-N
XLogP12.55
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.84
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile with MolForge

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Related Compounds

4-carbazol-9-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413747
4-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]fluoranthen-3-yl]benzonitrile
CID 165376402
4-[4-[10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]anthracen-9-yl]fluoranthen-3-yl]benzonitrile
CID 165376051
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
4-[4-[6-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]benzonitrile
CID 176632587
2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 145413897
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466261
9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
CID 121286038

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
The IUPAC name of 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile (CID 145413454) is 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile.
What is the SMILES notation for 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
The canonical SMILES for 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc-2c13.
What is the InChIKey of 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
The InChIKey is BCYVOPFWEOOIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6/c53-29-43-44(30-54)56-52-42-28-26-36(32-19-23-34(24-20-32)58-47-15-7-3-11-39(47)40-12-4-8-16-48(40)58)49-35(25-27-41(50(42)49)51(52)55-43)31-17-21-33(22-18-31)57-45-13-5-1-9-37(45)38-10-2-6-14-46(38)57/h1-28H.
What are the key properties of 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile has a molecular weight of 736.84 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile is sourced from PubChem (CID 145413454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).