12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole

C57H36N4O — CID 164757777

IUPAC12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c7cc(-c8ccccc8)cc(-c8ccccc8)c7oc6c54)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-5-15-37(16-6-1)40-25-29-43(30-26-40)55-58-56(44-31-27-41(28-32-44)38-17-7-2-8-18-38)60-57(59-55)61-51-24-14-13-23-46(51)47-33-34-48-50-36-45(39-19-9-3-10-20-39)35-49(42-21-11-4-12-22-42)53(50)62-54(48)52(47)61/h1-36H
InChIKeyUVPFUCAGNCTUKP-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

About 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 164757777) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID164757777
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c7cc(-c8ccccc8)cc(-c8ccccc8)c7oc6c54)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-5-15-37(16-6-1)40-25-29-43(30-26-40)55-58-56(44-31-27-41(28-32-44)38-17-7-2-8-18-38)60-57(59-55)61-51-24-14-13-23-46(51)47-33-34-48-50-36-45(39-19-9-3-10-20-39)35-49(42-21-11-4-12-22-42)53(50)62-54(48)52(47)61/h1-36H
InChIKeyUVPFUCAGNCTUKP-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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole;8,10-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;8,10-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164991782
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 158929531
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757804
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163856123
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165032015
12-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenyl-[1]benzofuro[2,3-a]carbazole;12-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenyl-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 164977995
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole (CID 164757777) is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c7cc(-c8ccccc8)cc(-c8ccccc8)c7oc6c54)n3)cc2)cc1.
What is the InChIKey of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is UVPFUCAGNCTUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-5-15-37(16-6-1)40-25-29-43(30-26-40)55-58-56(44-31-27-41(28-32-44)38-17-7-2-8-18-38)60-57(59-55)61-51-24-14-13-23-46(51)47-33-34-48-50-36-45(39-19-9-3-10-20-39)35-49(42-21-11-4-12-22-42)53(50)62-54(48)52(47)61/h1-36H.
What are the key properties of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole?
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-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 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164757777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).