5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole

C49H28N4O2 — CID 163680086

IUPAC5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3cccc(-n5c6ccccc6c6cc7ccccc7cc65)c34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-2-12-29(13-3-1)47-50-48(32-24-25-43-38(27-32)34-17-7-9-22-42(34)54-43)52-49(51-47)36-19-10-18-35-45-40(21-11-23-44(45)55-46(35)36)53-39-20-8-6-16-33(39)37-26-30-14-4-5-15-31(30)28-41(37)53/h1-28H
InChIKeyJKBZZFADXSIQQA-UHFFFAOYSA-N
MW704.79 g/mol
LogP12.92
Rot. Bonds4

About 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole

5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 163680086) has the molecular formula C49H28N4O2 and a molecular weight of 704.79 g/mol. Its IUPAC name is 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID163680086
Molecular FormulaC49H28N4O2
Molecular Weight704.79 g/mol
Exact Mass704.22
IUPAC Name5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3cccc(-n5c6ccccc6c6cc7ccccc7cc65)c34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-2-12-29(13-3-1)47-50-48(32-24-25-43-38(27-32)34-17-7-9-22-42(34)54-43)52-49(51-47)36-19-10-18-35-45-40(21-11-23-44(45)55-46(35)36)53-39-20-8-6-16-33(39)37-26-30-14-4-5-15-31(30)28-41(37)53/h1-28H
InChIKeyJKBZZFADXSIQQA-UHFFFAOYSA-N
XLogP12.92
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 166962496
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010568
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
9-[2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607540
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzofuran-6-ylphenyl]benzo[b]carbazole
CID 155474561
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714899
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (CID 163680086) is 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3cccc(-n5c6ccccc6c6cc7ccccc7cc65)c34)n2)cc1.
What is the InChIKey of 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is JKBZZFADXSIQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4O2/c1-2-12-29(13-3-1)47-50-48(32-24-25-43-38(27-32)34-17-7-9-22-42(34)54-43)52-49(51-47)36-19-10-18-35-45-40(21-11-23-44(45)55-46(35)36)53-39-20-8-6-16-33(39)37-26-30-14-4-5-15-31(30)28-41(37)53/h1-28H.
What are the key properties of 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 704.79 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 163680086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).