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

C57H36N4O — CID 163856123

IUPAC12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7oc6c54)c3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-14-37(15-5-1)39-26-28-41(29-27-39)44-20-12-21-45(36-44)61-51-25-11-10-22-46(51)47-34-35-49-48-23-13-24-50(53(48)62-54(49)52(47)61)57-59-55(42-18-8-3-9-19-42)58-56(60-57)43-32-30-40(31-33-43)38-16-6-2-7-17-38/h1-36H
InChIKeyRXTMYDPHECGWRF-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

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

12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163856123) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID163856123
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7oc6c54)c3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-14-37(15-5-1)39-26-28-41(29-27-39)44-20-12-21-45(36-44)61-51-25-11-10-22-46(51)47-34-35-49-48-23-13-24-50(53(48)62-54(49)52(47)61)57-59-55(42-18-8-3-9-19-42)58-56(60-57)43-32-30-40(31-33-43)38-16-6-2-7-17-38/h1-36H
InChIKeyRXTMYDPHECGWRF-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

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-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 162701765
12-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-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 162701826
12-phenyl-18-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]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 162701623
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163853917
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
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-[3-(4-phenylphenyl)phenyl]-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163675437
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
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
9-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole;1-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole;bis(2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole);3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole;3-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole;bis(3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole)
CID 159013681
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163681880

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 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) is 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7oc6c54)c3)cc2)cc1.
What is the InChIKey of 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is RXTMYDPHECGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-14-37(15-5-1)39-26-28-41(29-27-39)44-20-12-21-45(36-44)61-51-25-11-10-22-46(51)47-34-35-49-48-23-13-24-50(53(48)62-54(49)52(47)61)57-59-55(42-18-8-3-9-19-42)58-56(60-57)43-32-30-40(31-33-43)38-16-6-2-7-17-38/h1-36H.
What are the key properties of 12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[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-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163856123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).