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

C45H28N4O — CID 176773398

IUPAC9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccccc6-n6c7ccccc7c7ccccc76)cccc5c34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)36-24-14-28-40-41(36)35-23-13-22-34(42(35)50-40)33-21-9-12-27-39(33)49-37-25-10-7-19-31(37)32-20-8-11-26-38(32)49/h1-28H
InChIKeyFSHKJUSWUNFHKA-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole (PubChem CID 176773398) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
PubChem CID176773398
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccccc6-n6c7ccccc7c7ccccc76)cccc5c34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)36-24-14-28-40-41(36)35-23-13-22-34(42(35)50-40)33-21-9-12-27-39(33)49-37-25-10-7-19-31(37)32-20-8-11-26-38(32)49/h1-28H
InChIKeyFSHKJUSWUNFHKA-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

9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-[2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607540
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
9-[4-(9-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952374
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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 146491297
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821

Frequently Asked Questions

What is the IUPAC name of 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole (CID 176773398) is 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccccc6-n6c7ccccc7c7ccccc76)cccc5c34)n2)cc1.
What is the InChIKey of 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole?
The InChIKey is FSHKJUSWUNFHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)36-24-14-28-40-41(36)35-23-13-22-34(42(35)50-40)33-21-9-12-27-39(33)49-37-25-10-7-19-31(37)32-20-8-11-26-38(32)49/h1-28H.
What are the key properties of 9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole?
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]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-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole is sourced from PubChem (CID 176773398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).