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

C63H40N4O — CID 164705594

IUPAC3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6oc7cc(-c8nc(-c9cccc(-c%10ccccc%10)c9)nc(-c9cccc(-c%10ccccc%10)c9)n8)ccc7c6c54)c3)cc2)cc1
InChIInChI=1S/C63H40N4O/c1-4-15-41(16-5-1)44-29-31-45(32-30-44)48-23-14-26-52(39-48)67-56-28-11-10-27-53(56)54-35-36-57-59(60(54)67)55-34-33-51(40-58(55)68-57)63-65-61(49-24-12-21-46(37-49)42-17-6-2-7-18-42)64-62(66-63)50-25-13-22-47(38-50)43-19-8-3-9-20-43/h1-40H
InChIKeyHOJRRGBZMDSEQS-UHFFFAOYSA-N
MW869.04 g/mol
LogP16.54
Rot. Bonds8

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

3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 164705594) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID164705594
Molecular FormulaC63H40N4O
Molecular Weight869.04 g/mol
Exact Mass868.32
IUPAC Name3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6oc7cc(-c8nc(-c9cccc(-c%10ccccc%10)c9)nc(-c9cccc(-c%10ccccc%10)c9)n8)ccc7c6c54)c3)cc2)cc1
InChIInChI=1S/C63H40N4O/c1-4-15-41(16-5-1)44-29-31-45(32-30-44)48-23-14-26-52(39-48)67-56-28-11-10-27-53(56)54-35-36-57-59(60(54)67)55-34-33-51(40-58(55)68-57)63-65-61(49-24-12-21-46(37-49)42-17-6-2-7-18-42)64-62(66-63)50-25-13-22-47(38-50)43-19-8-3-9-20-43/h1-40H
InChIKeyHOJRRGBZMDSEQS-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

12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
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-(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
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 135166141
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758341
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 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) is 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6oc7cc(-c8nc(-c9cccc(-c%10ccccc%10)c9)nc(-c9cccc(-c%10ccccc%10)c9)n8)ccc7c6c54)c3)cc2)cc1.
What is the InChIKey of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is HOJRRGBZMDSEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-15-41(16-5-1)44-29-31-45(32-30-44)48-23-14-26-52(39-48)67-56-28-11-10-27-53(56)54-35-36-57-59(60(54)67)55-34-33-51(40-58(55)68-57)63-65-61(49-24-12-21-46(37-49)42-17-6-2-7-18-42)64-62(66-63)50-25-13-22-47(38-50)43-19-8-3-9-20-43/h1-40H.
What are the key properties of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]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 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 164705594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).