1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole

C51H32N4O — CID 170080122

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5n(-c5ccc6oc7cccc(-c8ccccc8-c8ccccc8)c7c6c5)c34)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)40-25-15-29-46-47(40)43-32-36(30-31-45(43)56-46)55-44-28-13-12-24-39(44)41-26-14-27-42(48(41)55)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35/h1-32H
InChIKeyGDTSIZDQTIQWIT-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole (PubChem CID 170080122) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
PubChem CID170080122
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5n(-c5ccc6oc7cccc(-c8ccccc8-c8ccccc8)c7c6c5)c34)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)40-25-15-29-46-47(40)43-32-36(30-31-45(43)56-46)55-44-28-13-12-24-39(44)41-26-14-27-42(48(41)55)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35/h1-32H
InChIKeyGDTSIZDQTIQWIT-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(9-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080111
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 130231332
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768
9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080240
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807835
1-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460080
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491123

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole (CID 170080122) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5n(-c5ccc6oc7cccc(-c8ccccc8-c8ccccc8)c7c6c5)c34)n2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole?
The InChIKey is GDTSIZDQTIQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)40-25-15-29-46-47(40)43-32-36(30-31-45(43)56-46)55-44-28-13-12-24-39(44)41-26-14-27-42(48(41)55)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 170080122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).