3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile

C52H29N5O2 — CID 155358006

IUPAC3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6cccc7c6oc6ccccc67)cccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C52H29N5O2/c53-30-31-12-7-14-33(28-31)50-54-51(56-52(55-50)57-44-25-4-1-16-36(44)37-17-2-5-26-45(37)57)34-15-8-13-32(29-34)35-19-9-21-40-42-23-11-24-43(49(42)59-47(35)40)41-22-10-20-39-38-18-3-6-27-46(38)58-48(39)41/h1-29H
InChIKeyYJZRLWBWMFHTIE-UHFFFAOYSA-N
MW755.84 g/mol
LogP13.31
Rot. Bonds5

About 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile

3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 155358006) has the molecular formula C52H29N5O2 and a molecular weight of 755.84 g/mol. Its IUPAC name is 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
PubChem CID155358006
Molecular FormulaC52H29N5O2
Molecular Weight755.84 g/mol
Exact Mass755.23
IUPAC Name3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6cccc7c6oc6ccccc67)cccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C52H29N5O2/c53-30-31-12-7-14-33(28-31)50-54-51(56-52(55-50)57-44-25-4-1-16-36(44)37-17-2-5-26-45(37)57)34-15-8-13-32(29-34)35-19-9-21-40-42-23-11-24-43(49(42)59-47(35)40)41-22-10-20-39-38-18-3-6-27-46(38)58-48(39)41/h1-29H
InChIKeyYJZRLWBWMFHTIE-UHFFFAOYSA-N
XLogP13.31
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.84
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile
CID 164821782
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-[9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232627
2-(4-dibenzofuran-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159714713
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146658603
7-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580289

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile (CID 155358006) is 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6cccc7c6oc6ccccc67)cccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is YJZRLWBWMFHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N5O2/c53-30-31-12-7-14-33(28-31)50-54-51(56-52(55-50)57-44-25-4-1-16-36(44)37-17-2-5-26-45(37)57)34-15-8-13-32(29-34)35-19-9-21-40-42-23-11-24-43(49(42)59-47(35)40)41-22-10-20-39-38-18-3-6-27-46(38)58-48(39)41/h1-29H.
What are the key properties of 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile?
3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 755.84 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 155358006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).