12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole

C57H35N5O — CID 165165583

IUPAC12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c5c43)n2)cc1
InChIInChI=1S/C57H35N5O/c1-4-17-36(18-5-1)40-32-31-39(35-48(40)37-19-6-2-7-20-37)61-49-28-13-10-23-41(49)44-33-34-45-42-24-11-14-29-50(42)62(53(45)52(44)61)57-59-55(38-21-8-3-9-22-38)58-56(60-57)47-27-16-26-46-43-25-12-15-30-51(43)63-54(46)47/h1-35H
InChIKeyXURPPQYZPHUMNI-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole

12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole (PubChem CID 165165583) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
PubChem CID165165583
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c5c43)n2)cc1
InChIInChI=1S/C57H35N5O/c1-4-17-36(18-5-1)40-32-31-39(35-48(40)37-19-6-2-7-20-37)61-49-28-13-10-23-41(49)44-33-34-45-42-24-11-14-29-50(42)62(53(45)52(44)61)57-59-55(38-21-8-3-9-22-38)58-56(60-57)47-27-16-26-46-43-25-12-15-30-51(43)63-54(46)47/h1-35H
InChIKeyXURPPQYZPHUMNI-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165478
11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758335
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
11-phenyl-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 156557722
12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
CID 168809550
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
11-(4-phenylphenyl)-12-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164957984
11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 118595440
2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165001120
2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163669259

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole (CID 165165583) is 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c5c43)n2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is XURPPQYZPHUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-17-36(18-5-1)40-32-31-39(35-48(40)37-19-6-2-7-20-37)61-49-28-13-10-23-41(49)44-33-34-45-42-24-11-14-29-50(42)62(53(45)52(44)61)57-59-55(38-21-8-3-9-22-38)58-56(60-57)47-27-16-26-46-43-25-12-15-30-51(43)63-54(46)47/h1-35H.
What are the key properties of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole?
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 165165583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).