5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole

C55H33N5O — CID 170183237

IUPAC5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3c(cccc3-n3c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc53)O4)n2)cc1
InChIInChI=1S/C55H33N5O/c1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)40-30-31-50-51-39(40)24-14-25-41(51)52-46(28-15-29-49(52)61-50)60-45-27-13-11-23-38(45)43-32-42-37-22-10-12-26-44(37)59(47(42)33-48(43)60)36-20-8-3-9-21-36/h1-33H
InChIKeyLKWZPUKOJWWXTK-UHFFFAOYSA-N
MW779.90 g/mol
LogP13.99
Rot. Bonds5

About 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole

5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 170183237) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID170183237
Molecular FormulaC55H33N5O
Molecular Weight779.90 g/mol
Exact Mass779.27
IUPAC Name5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3c(cccc3-n3c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc53)O4)n2)cc1
InChIInChI=1S/C55H33N5O/c1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)40-30-31-50-51-39(40)24-14-25-41(51)52-46(28-15-29-49(52)61-50)60-45-27-13-11-23-38(45)43-32-42-37-22-10-12-26-44(37)59(47(42)33-48(43)60)36-20-8-3-9-21-36/h1-33H
InChIKeyLKWZPUKOJWWXTK-UHFFFAOYSA-N
XLogP13.99
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.90
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

5-[12-[4-(3-phenylphenyl)quinazolin-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]benzo[b]carbazole
CID 170183234
5-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]phenyl]benzo[b]carbazole
CID 170183111
9-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]carbazole
CID 170183104
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7-diphenylindolo[2,3-b]carbazole
CID 158910777
5-[12-[3-(3-phenylphenyl)quinoxalin-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]benzo[b]carbazole
CID 170183235
5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]phenyl]benzo[b]carbazole
CID 170183046
5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170007620
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole
CID 167647554
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-7-phenylindolo[2,3-b]carbazole
CID 164707538
11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]benzo[a]carbazole
CID 170183112

Frequently Asked Questions

What is the IUPAC name of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole (CID 170183237) is 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)-c3c(cccc3-n3c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc53)O4)n2)cc1.
What is the InChIKey of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is LKWZPUKOJWWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)40-30-31-50-51-39(40)24-14-25-41(51)52-46(28-15-29-49(52)61-50)60-45-27-13-11-23-38(45)43-32-42-37-22-10-12-26-44(37)59(47(42)33-48(43)60)36-20-8-3-9-21-36/h1-33H.
What are the key properties of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole?
5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 779.90 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 170183237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).