4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole

C57H36N4O — CID 164705596

IUPAC4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6c5oc5ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C57H36N4O/c1-4-15-37(16-5-1)41-19-12-21-43(35-41)56-58-55(59-57(60-56)44-22-13-20-42(36-44)38-17-6-2-7-18-38)40-31-29-39(30-32-40)46-26-14-27-49-52-51(62-54(46)49)34-33-48-47-25-10-11-28-50(47)61(53(48)52)45-23-8-3-9-24-45/h1-36H
InChIKeyYPGWXMUMZLZMRW-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

About 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole

4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 164705596) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID164705596
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6c5oc5ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C57H36N4O/c1-4-15-37(16-5-1)41-19-12-21-43(35-41)56-58-55(59-57(60-56)44-22-13-20-42(36-44)38-17-6-2-7-18-38)40-31-29-39(30-32-40)46-26-14-27-49-52-51(62-54(46)49)34-33-48-47-25-10-11-28-50(47)61(53(48)52)45-23-8-3-9-24-45/h1-36H
InChIKeyYPGWXMUMZLZMRW-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
12-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 163977496
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 162187860
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
12-phenyl-5-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169014994
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 164705596) is 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6c5oc5ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is YPGWXMUMZLZMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-15-37(16-5-1)41-19-12-21-43(35-41)56-58-55(59-57(60-56)44-22-13-20-42(36-44)38-17-6-2-7-18-38)40-31-29-39(30-32-40)46-26-14-27-49-52-51(62-54(46)49)34-33-48-47-25-10-11-28-50(47)61(53(48)52)45-23-8-3-9-24-45/h1-36H.
What are the key properties of 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 164705596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).