12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole

C102H62N8O2 — CID 163646185

IUPAC12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6oc5c43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c4ccc4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c43)n2)cc1
InChIInChI=1S/C51H30N4O.C51H32N4O/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-23-25-41-43-28-27-42-40-21-11-12-22-45(40)55(47(42)48(43)56-46(41)29-33)34-24-26-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)44(39)30-34;1-5-15-33(16-6-1)38-29-39(34-17-7-2-8-18-34)31-40(30-38)55-45-24-14-13-23-41(45)43-27-28-44-42-26-25-37(32-46(42)56-48(44)47(43)55)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-30H;1-32H
InChIKeyIIKGEHIZTNJONF-UHFFFAOYSA-N
MW1431.67 g/mol
LogP26.53
Rot. Bonds10

About 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole

12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole (PubChem CID 163646185) has the molecular formula C102H62N8O2 and a molecular weight of 1431.67 g/mol. Its IUPAC name is 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole
PubChem CID163646185
Molecular FormulaC102H62N8O2
Molecular Weight1431.67 g/mol
Exact Mass1430.50
IUPAC Name12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6oc5c43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c4ccc4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c43)n2)cc1
InChIInChI=1S/C51H30N4O.C51H32N4O/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-23-25-41-43-28-27-42-40-21-11-12-22-45(40)55(47(42)48(43)56-46(41)29-33)34-24-26-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)44(39)30-34;1-5-15-33(16-6-1)38-29-39(34-17-7-2-8-18-34)31-40(30-38)55-45-24-14-13-23-41(45)43-27-28-44-42-26-25-37(32-46(42)56-48(44)47(43)55)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-30H;1-32H
InChIKeyIIKGEHIZTNJONF-UHFFFAOYSA-N
XLogP26.53
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.67
LogP ≤ 526.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole (CID 163646185) is 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6oc5c43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c4ccc4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c43)n2)cc1.
What is the InChIKey of 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is IIKGEHIZTNJONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O.C51H32N4O/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-23-25-41-43-28-27-42-40-21-11-12-22-45(40)55(47(42)48(43)56-46(41)29-33)34-24-26-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)44(39)30-34;1-5-15-33(16-6-1)38-29-39(34-17-7-2-8-18-34)31-40(30-38)55-45-24-14-13-23-41(45)43-27-28-44-42-26-25-37(32-46(42)56-48(44)47(43)55)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-30H;1-32H.
What are the key properties of 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole?
12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1431.67 g/mol, XLogP of 26.53, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163646185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).