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

C57H35N5O — CID 165165462

IUPAC12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc9c8oc8ccccc89)n7)c6c54)c3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-3-16-36(17-4-1)38-20-13-21-39(34-38)40-22-14-23-41(35-40)61-49-29-10-7-24-42(49)45-32-33-46-43-25-8-11-30-50(43)62(53(46)52(45)61)57-59-55(37-18-5-2-6-19-37)58-56(60-57)48-28-15-27-47-44-26-9-12-31-51(44)63-54(47)48/h1-35H
InChIKeyPVIWDSHOXWOFLY-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-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole

12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 165165462) 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-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
PubChem CID165165462
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-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc9c8oc8ccccc89)n7)c6c54)c3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-3-16-36(17-4-1)38-20-13-21-39(34-38)40-22-14-23-41(35-40)61-49-29-10-7-24-42(49)45-32-33-46-43-25-8-11-30-50(43)62(53(46)52(45)61)57-59-55(37-18-5-2-6-19-37)58-56(60-57)48-28-15-27-47-44-26-9-12-31-51(44)63-54(47)48/h1-35H
InChIKeyPVIWDSHOXWOFLY-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

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-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
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
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758260
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758308
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142569274
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 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) is 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]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-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc9c8oc8ccccc89)n7)c6c54)c3)c2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is PVIWDSHOXWOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-16-36(17-4-1)38-20-13-21-39(34-38)40-22-14-23-41(35-40)61-49-29-10-7-24-42(49)45-32-33-46-43-25-8-11-30-50(43)62(53(46)52(45)61)57-59-55(37-18-5-2-6-19-37)58-56(60-57)48-28-15-27-47-44-26-9-12-31-51(44)63-54(47)48/h1-35H.
What are the key properties of 12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]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-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165165462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).