9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole

C51H29N5O2 — CID 170369945

IUPAC9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3nc(-c4cccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)nc(-n4c5ccccc5c5ccccc54)n3)cc12
InChIInChI=1S/C51H29N5O2/c1-6-19-41-32(12-1)33-13-2-7-20-42(33)55(41)31-25-27-47-40(29-31)37-17-11-18-38(48(37)58-47)50-52-49(30-24-26-46-39(28-30)36-16-5-10-23-45(36)57-46)53-51(54-50)56-43-21-8-3-14-34(43)35-15-4-9-22-44(35)56/h1-29H
InChIKeyMMSXARMLORGVMU-UHFFFAOYSA-N
MW743.83 g/mol
LogP13.20
Rot. Bonds4

About 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole

9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole (PubChem CID 170369945) has the molecular formula C51H29N5O2 and a molecular weight of 743.83 g/mol. Its IUPAC name is 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
PubChem CID170369945
Molecular FormulaC51H29N5O2
Molecular Weight743.83 g/mol
Exact Mass743.23
IUPAC Name9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3nc(-c4cccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)nc(-n4c5ccccc5c5ccccc54)n3)cc12
InChIInChI=1S/C51H29N5O2/c1-6-19-41-32(12-1)33-13-2-7-20-42(33)55(41)31-25-27-47-40(29-31)37-17-11-18-38(48(37)58-47)50-52-49(30-24-26-46-39(28-30)36-16-5-10-23-45(36)57-46)53-51(54-50)56-43-21-8-3-14-34(43)35-15-4-9-22-44(35)56/h1-29H
InChIKeyMMSXARMLORGVMU-UHFFFAOYSA-N
XLogP13.20
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 163961346
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-[6-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 160655229
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
9-[4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166875116
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814

Frequently Asked Questions

What is the IUPAC name of 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole (CID 170369945) is 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)oc1ccc(-c3nc(-c4cccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)nc(-n4c5ccccc5c5ccccc54)n3)cc12.
What is the InChIKey of 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is MMSXARMLORGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5O2/c1-6-19-41-32(12-1)33-13-2-7-20-42(33)55(41)31-25-27-47-40(29-31)37-17-11-18-38(48(37)58-47)50-52-49(30-24-26-46-39(28-30)36-16-5-10-23-45(36)57-46)53-51(54-50)56-43-21-8-3-14-34(43)35-15-4-9-22-44(35)56/h1-29H.
What are the key properties of 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole?
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 743.83 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170369945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).