9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C45H28N4O — CID 171599823

IUPAC9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)50-41(33)37)31-18-11-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)49-39-26-9-7-20-35(39)36-21-8-10-27-40(36)49/h1-28H
InChIKeyYVFJRVPJCWZBRI-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 171599823) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID171599823
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)50-41(33)37)31-18-11-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)49-39-26-9-7-20-35(39)36-21-8-10-27-40(36)49/h1-28H
InChIKeyYVFJRVPJCWZBRI-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 158929531
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 171599823) is 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is YVFJRVPJCWZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)50-41(33)37)31-18-11-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)49-39-26-9-7-20-35(39)36-21-8-10-27-40(36)49/h1-28H.
What are the key properties of 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171599823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).