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

C45H28N4O — CID 163856117

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6oc5c43)c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-20-12-21-33(28-32)49-39-25-11-10-22-34(39)35-26-27-37-36-23-13-24-38(41(36)50-42(37)40(35)49)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H
InChIKeyXLYQKTXRYAHCLL-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 163856117) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID163856117
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6oc5c43)c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-20-12-21-33(28-32)49-39-25-11-10-22-34(39)35-26-27-37-36-23-13-24-38(41(36)50-42(37)40(35)49)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H
InChIKeyXLYQKTXRYAHCLL-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[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
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-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
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
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163681880
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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
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-[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

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 163856117) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6oc5c43)c2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is XLYQKTXRYAHCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-20-12-21-33(28-32)49-39-25-11-10-22-34(39)35-26-27-37-36-23-13-24-38(41(36)50-42(37)40(35)49)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163856117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).