5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole

C49H30N4O — CID 166495763

IUPAC5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cc7ccccc7cc65)cc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-14-31(15-5-1)40-29-37(53-42-23-13-12-22-38(42)41-26-34-20-10-11-21-35(34)27-43(41)53)30-45-46(40)39-25-24-36(28-44(39)54-45)49-51-47(32-16-6-2-7-17-32)50-48(52-49)33-18-8-3-9-19-33/h1-30H
InChIKeyNZMBZGKYSPICJK-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 166495763) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
PubChem CID166495763
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cc7ccccc7cc65)cc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-14-31(15-5-1)40-29-37(53-42-23-13-12-22-38(42)41-26-34-20-10-11-21-35(34)27-43(41)53)30-45-46(40)39-25-24-36(28-44(39)54-45)49-51-47(32-16-6-2-7-17-32)50-48(52-49)33-18-8-3-9-19-33/h1-30H
InChIKeyNZMBZGKYSPICJK-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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Related Compounds

5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 166496032
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 164714701
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
9-[1-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166496025
5-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 164714953
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 156554044
5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
CID 170253427
9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 165057427
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
CID 163749487

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole (CID 166495763) is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6cc7ccccc7cc65)cc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is NZMBZGKYSPICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-4-14-31(15-5-1)40-29-37(53-42-23-13-12-22-38(42)41-26-34-20-10-11-21-35(34)27-43(41)53)30-45-46(40)39-25-24-36(28-44(39)54-45)49-51-47(32-16-6-2-7-17-32)50-48(52-49)33-18-8-3-9-19-33/h1-30H.
What are the key properties of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole?
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 166495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).