1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole

C63H40N4O — CID 163718426

IUPAC1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6oc7cccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c6cc54)c3)cc2)cc1
InChIInChI=1S/C63H40N4O/c1-4-14-41(15-5-1)44-26-28-47(29-27-44)50-20-12-21-51(38-50)67-56-24-11-10-22-52(56)54-40-59-55(39-57(54)67)60-53(23-13-25-58(60)68-59)63-65-61(48-34-30-45(31-35-48)42-16-6-2-7-17-42)64-62(66-63)49-36-32-46(33-37-49)43-18-8-3-9-19-43/h1-40H
InChIKeyGQWSEYOTVRAOLG-UHFFFAOYSA-N
MW869.04 g/mol
LogP16.54
Rot. Bonds8

About 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole

1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 163718426) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID163718426
Molecular FormulaC63H40N4O
Molecular Weight869.04 g/mol
Exact Mass868.32
IUPAC Name1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6oc7cccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c6cc54)c3)cc2)cc1
InChIInChI=1S/C63H40N4O/c1-4-14-41(15-5-1)44-26-28-47(29-27-44)50-20-12-21-51(38-50)67-56-24-11-10-22-52(56)54-40-59-55(39-57(54)67)60-53(23-13-25-58(60)68-59)63-65-61(48-34-30-45(31-35-48)42-16-6-2-7-17-42)64-62(66-63)49-36-32-46(33-37-49)43-18-8-3-9-19-43/h1-40H
InChIKeyGQWSEYOTVRAOLG-UHFFFAOYSA-N
XLogP16.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163850805
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163645340
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163898329
11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163883383
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 163718426) is 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6oc7cccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c6cc54)c3)cc2)cc1.
What is the InChIKey of 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is GQWSEYOTVRAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-14-41(15-5-1)44-26-28-47(29-27-44)50-20-12-21-51(38-50)67-56-24-11-10-22-52(56)54-40-59-55(39-57(54)67)60-53(23-13-25-58(60)68-59)63-65-61(48-34-30-45(31-35-48)42-16-6-2-7-17-42)64-62(66-63)49-36-32-46(33-37-49)43-18-8-3-9-19-43/h1-40H.
What are the key properties of 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 869.04 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163718426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).