3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile

C41H23N7 — CID 144596106

IUPAC3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)c1
InChIInChI=1S/C41H23N7/c42-24-26-10-8-12-28(20-26)39-44-40(29-13-9-11-27(21-29)25-43)46-41(45-39)48-36-19-7-5-17-32(36)34-22-37-33(23-38(34)48)31-16-4-6-18-35(31)47(37)30-14-2-1-3-15-30/h1-23H
InChIKeyLOTLNEQOCZHCBO-UHFFFAOYSA-N
MW613.68 g/mol
LogP9.14
Rot. Bonds4

About 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile

3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 144596106) has the molecular formula C41H23N7 and a molecular weight of 613.68 g/mol. Its IUPAC name is 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID144596106
Molecular FormulaC41H23N7
Molecular Weight613.68 g/mol
Exact Mass613.20
IUPAC Name3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)c1
InChIInChI=1S/C41H23N7/c42-24-26-10-8-12-28(20-26)39-44-40(29-13-9-11-27(21-29)25-43)46-41(45-39)48-36-19-7-5-17-32(36)34-22-37-33(23-38(34)48)31-16-4-6-18-35(31)47(37)30-14-2-1-3-15-30/h1-23H
InChIKeyLOTLNEQOCZHCBO-UHFFFAOYSA-N
XLogP9.14
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.68
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139496244
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
3-[4-carbazol-9-yl-6-(3-tritylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 162479927
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170444631
3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 170268524
4-[4-[5,25-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5,15,25-triazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-yl]phenyl]sulfonylbenzonitrile
CID 171844618
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170444642
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
4-[2-phenyl-6-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 144596017
4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 118259280

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile (CID 144596106) is 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)c1.
What is the InChIKey of 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is LOTLNEQOCZHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N7/c42-24-26-10-8-12-28(20-26)39-44-40(29-13-9-11-27(21-29)25-43)46-41(45-39)48-36-19-7-5-17-32(36)34-22-37-33(23-38(34)48)31-16-4-6-18-35(31)47(37)30-14-2-1-3-15-30/h1-23H.
What are the key properties of 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile?
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 613.68 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 144596106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).