2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile

C49H30N4 — CID 139339667

IUPAC2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1
InChIInChI=1S/C49H30N4/c50-31-32-14-4-5-17-37(32)33-28-35(52-43-22-10-6-18-38(43)39-19-7-11-23-44(39)52)30-36(29-33)53-45-24-12-8-20-40(45)41-26-27-47-48(49(41)53)42-21-9-13-25-46(42)51(47)34-15-2-1-3-16-34/h1-30H
InChIKeyRLDGSWHGXLZEEO-UHFFFAOYSA-N
MW674.81 g/mol
LogP12.52
Rot. Bonds4

About 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile

2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile (PubChem CID 139339667) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
PubChem CID139339667
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1
InChIInChI=1S/C49H30N4/c50-31-32-14-4-5-17-37(32)33-28-35(52-43-22-10-6-18-38(43)39-19-7-11-23-44(39)52)30-36(29-33)53-45-24-12-8-20-40(45)41-26-27-47-48(49(41)53)42-21-9-13-25-46(42)51(47)34-15-2-1-3-16-34/h1-30H
InChIKeyRLDGSWHGXLZEEO-UHFFFAOYSA-N
XLogP12.52
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanophenyl)-2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170051061
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
2-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 160706389
2-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 157162467
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543110
2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile
CID 171845048
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The IUPAC name of 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile (CID 139339667) is 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.
What is the InChIKey of 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The InChIKey is RLDGSWHGXLZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c50-31-32-14-4-5-17-37(32)33-28-35(52-43-22-10-6-18-38(43)39-19-7-11-23-44(39)52)30-36(29-33)53-45-24-12-8-20-40(45)41-26-27-47-48(49(41)53)42-21-9-13-25-46(42)51(47)34-15-2-1-3-16-34/h1-30H.
What are the key properties of 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile has a molecular weight of 674.81 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile is sourced from PubChem (CID 139339667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).