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

C51H32N4O2 — CID 146395683

IUPAC9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3ccccc34)NC(c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc34)=N2)cc1
InChIInChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)33-23-27-44-42(28-33)36-16-7-9-20-43(36)55(44)35-24-26-39-38-25-22-34(29-46(38)56-47(39)30-35)50-52-49(32-14-5-2-6-15-32)53-51(54-50)41-19-11-18-40-37-17-8-10-21-45(37)57-48(40)41/h1-30,51H,(H,52,53,54)
InChIKeyZDCUMETUVJOXCI-UHFFFAOYSA-N
MW732.84 g/mol
LogP12.74
Rot. Bonds5

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

9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole (PubChem CID 146395683) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
PubChem CID146395683
Molecular FormulaC51H32N4O2
Molecular Weight732.84 g/mol
Exact Mass732.25
IUPAC Name9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3ccccc34)NC(c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc34)=N2)cc1
InChIInChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)33-23-27-44-42(28-33)36-16-7-9-20-43(36)55(44)35-24-26-39-38-25-22-34(29-46(38)56-47(39)30-35)50-52-49(32-14-5-2-6-15-32)53-51(54-50)41-19-11-18-40-37-17-8-10-21-45(37)57-48(40)41/h1-30,51H,(H,52,53,54)
InChIKeyZDCUMETUVJOXCI-UHFFFAOYSA-N
XLogP12.74
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 512.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
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
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
2-[2-dibenzofuran-3-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164975374
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
11-[3-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 144956755

Frequently Asked Questions

What is the IUPAC name of 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
The IUPAC name of 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole (CID 146395683) is 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole is c1ccc(C2=NC(c3cccc4c3oc3ccccc34)NC(c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc34)=N2)cc1.
What is the InChIKey of 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
The InChIKey is ZDCUMETUVJOXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)33-23-27-44-42(28-33)36-16-7-9-20-43(36)55(44)35-24-26-39-38-25-22-34(29-46(38)56-47(39)30-35)50-52-49(32-14-5-2-6-15-32)53-51(54-50)41-19-11-18-40-37-17-8-10-21-45(37)57-48(40)41/h1-30,51H,(H,52,53,54).
What are the key properties of 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole has a molecular weight of 732.84 g/mol, XLogP of 12.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole is sourced from PubChem (CID 146395683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).