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

C53H32N4O — CID 170183046

IUPAC5-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc(-c5cccc(-n6c7ccccc7c7cc8ccccc8cc76)c5)c5cccc-4c35)n2)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-33(14-4-1)51-54-52(34-15-5-2-6-16-34)56-53(55-51)38-25-26-42-44-23-12-22-43-40(27-28-48(50(43)44)58-49(42)32-38)37-19-11-20-39(29-37)57-46-24-10-9-21-41(46)45-30-35-17-7-8-18-36(35)31-47(45)57/h1-32H
InChIKeyYGMQBYREEYXMCU-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.72
Rot. Bonds5

About 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

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 (PubChem CID 170183046) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID170183046
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name5-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc(-c5cccc(-n6c7ccccc7c7cc8ccccc8cc76)c5)c5cccc-4c35)n2)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-33(14-4-1)51-54-52(34-15-5-2-6-16-34)56-53(55-51)38-25-26-42-44-23-12-22-43-40(27-28-48(50(43)44)58-49(42)32-38)37-19-11-20-39(29-37)57-46-24-10-9-21-41(46)45-30-35-17-7-8-18-36(35)31-47(45)57/h1-32H
InChIKeyYGMQBYREEYXMCU-UHFFFAOYSA-N
XLogP13.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
5-[12-(4-phenylquinazolin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-yl]benzo[b]carbazole
CID 170182984
2-phenyl-4,6-bis(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-yl)-1,3,5-triazine
CID 170183027
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
5-[12-[3-(3-phenylphenyl)quinoxalin-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-yl]benzo[b]carbazole
CID 170182991
3-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041254
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
5-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621946
5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431025

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc(-c5cccc(-n6c7ccccc7c7cc8ccccc8cc76)c5)c5cccc-4c35)n2)cc1.
What is the InChIKey of 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?
The InChIKey is YGMQBYREEYXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-3-13-33(14-4-1)51-54-52(34-15-5-2-6-16-34)56-53(55-51)38-25-26-42-44-23-12-22-43-40(27-28-48(50(43)44)58-49(42)32-38)37-19-11-20-39(29-37)57-46-24-10-9-21-41(46)45-30-35-17-7-8-18-36(35)31-47(45)57/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 740.87 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170183046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).