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

C51H31N5O — CID 134168976

IUPAC11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-14-32(15-4-1)33-16-13-17-34(28-33)49-52-50(35-26-27-40-39-22-9-12-25-47(39)57-48(40)29-35)54-51(53-49)56-44-24-11-8-21-38(44)42-30-45-41(31-46(42)56)37-20-7-10-23-43(37)55(45)36-18-5-2-6-19-36/h1-31H
InChIKeyYZYPOWZAPZWQDE-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

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

11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 134168976) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
PubChem CID134168976
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-14-32(15-4-1)33-16-13-17-34(28-33)49-52-50(35-26-27-40-39-22-9-12-25-47(39)57-48(40)29-35)54-51(53-49)56-44-24-11-8-21-38(44)42-30-45-41(31-46(42)56)37-20-7-10-23-43(37)55(45)36-18-5-2-6-19-36/h1-31H
InChIKeyYZYPOWZAPZWQDE-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
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-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
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
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798

Frequently Asked Questions

What is the IUPAC name of 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole (CID 134168976) is 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is YZYPOWZAPZWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-3-14-32(15-4-1)33-16-13-17-34(28-33)49-52-50(35-26-27-40-39-22-9-12-25-47(39)57-48(40)29-35)54-51(53-49)56-44-24-11-8-21-38(44)42-30-45-41(31-46(42)56)37-20-7-10-23-43(37)55(45)36-18-5-2-6-19-36/h1-31H.
What are the key properties of 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 134168976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).