5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole

C49H30N4O — CID 163648886

IUPAC5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)c6ccccc6cc54)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-16-31(17-5-1)43-35-23-11-10-22-34(35)30-41-45(43)36-24-12-14-26-39(36)53(41)40-29-28-38(44-37-25-13-15-27-42(37)54-46(40)44)49-51-47(32-18-6-2-7-19-32)50-48(52-49)33-20-8-3-9-21-33/h1-30H
InChIKeyIKNHZTNPMIKCDU-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole (PubChem CID 163648886) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole
PubChem CID163648886
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)c6ccccc6cc54)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-16-31(17-5-1)43-35-23-11-10-22-34(35)30-41-45(43)36-24-12-14-26-39(36)53(41)40-29-28-38(44-37-25-13-15-27-42(37)54-46(40)44)49-51-47(32-18-6-2-7-19-32)50-48(52-49)33-20-8-3-9-21-33/h1-30H
InChIKeyIKNHZTNPMIKCDU-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole?
The IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole (CID 163648886) is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)c6ccccc6cc54)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole?
The InChIKey is IKNHZTNPMIKCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-4-16-31(17-5-1)43-35-23-11-10-22-34(35)30-41-45(43)36-24-12-14-26-39(36)53(41)40-29-28-38(44-37-25-13-15-27-42(37)54-46(40)44)49-51-47(32-18-6-2-7-19-32)50-48(52-49)33-20-8-3-9-21-33/h1-30H.
What are the key properties of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole?
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole is sourced from PubChem (CID 163648886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).