9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole

C45H28N4O2 — CID 166961266

IUPAC9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(C2N=C(n3c4ccccc4c4ccccc43)N=C(c3ccc4oc5cc(-c6cccc7oc8ccccc8c67)ccc5c4c3)N2)cc1
InChIInChI=1S/C45H28N4O2/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-31(36)32-14-5-8-18-37(32)49)29-22-24-39-35(25-29)33-23-21-28(26-41(33)51-39)30-16-10-20-40-42(30)34-15-6-9-19-38(34)50-40/h1-26,43H,(H,46,47,48)
InChIKeyYFILRMBSMOIUHI-UHFFFAOYSA-N
MW656.75 g/mol
LogP11.21
Rot. Bonds3

About 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole

9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (PubChem CID 166961266) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
PubChem CID166961266
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(C2N=C(n3c4ccccc4c4ccccc43)N=C(c3ccc4oc5cc(-c6cccc7oc8ccccc8c67)ccc5c4c3)N2)cc1
InChIInChI=1S/C45H28N4O2/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-31(36)32-14-5-8-18-37(32)49)29-22-24-39-35(25-29)33-23-21-28(26-41(33)51-39)30-16-10-20-40-42(30)34-15-6-9-19-38(34)50-40/h1-26,43H,(H,46,47,48)
InChIKeyYFILRMBSMOIUHI-UHFFFAOYSA-N
XLogP11.21
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339

Frequently Asked Questions

What is the IUPAC name of 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The IUPAC name of 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (CID 166961266) is 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.
What is the SMILES notation for 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The canonical SMILES for 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is c1ccc(C2N=C(n3c4ccccc4c4ccccc43)N=C(c3ccc4oc5cc(-c6cccc7oc8ccccc8c67)ccc5c4c3)N2)cc1.
What is the InChIKey of 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The InChIKey is YFILRMBSMOIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-31(36)32-14-5-8-18-37(32)49)29-22-24-39-35(25-29)33-23-21-28(26-41(33)51-39)30-16-10-20-40-42(30)34-15-6-9-19-38(34)50-40/h1-26,43H,(H,46,47,48).
What are the key properties of 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole has a molecular weight of 656.75 g/mol, XLogP of 11.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is sourced from PubChem (CID 166961266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).