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

C51H32N4O — CID 163758695

IUPAC11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5cc43)c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)55-45-24-14-13-23-41(45)43-32-48-44(31-46(43)55)42-26-25-37(30-47(42)56-48)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32H
InChIKeyXSSMNRFIJCNKGU-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 163758695) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID163758695
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5cc43)c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)55-45-24-14-13-23-41(45)43-32-48-44(31-46(43)55)42-26-25-37(30-47(42)56-48)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32H
InChIKeyXSSMNRFIJCNKGU-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
9-(3,5-diphenylphenyl)-3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 147624176
3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163946850
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163416723
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole (CID 163758695) is 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5cc43)c2)cc1.
What is the InChIKey of 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is XSSMNRFIJCNKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)55-45-24-14-13-23-41(45)43-32-48-44(31-46(43)55)42-26-25-37(30-47(42)56-48)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32H.
What are the key properties of 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163758695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).