9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole

C63H40N4O — CID 164962407

IUPAC9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7cccc8c7oc7ccccc78)cc65)cc4-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C63H40N4O/c1-4-17-41(18-5-1)44-23-14-25-47(37-44)61-64-62(48-26-15-24-45(38-48)42-19-6-2-7-20-42)66-63(65-61)55-36-34-49(40-56(55)43-21-8-3-9-22-43)67-57-31-12-10-27-51(57)52-35-33-46(39-58(52)67)50-29-16-30-54-53-28-11-13-32-59(53)68-60(50)54/h1-40H
InChIKeyIPEJXFTWLTXXAD-UHFFFAOYSA-N
MW869.04 g/mol
LogP16.54
Rot. Bonds8

About 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole

9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole (PubChem CID 164962407) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole
PubChem CID164962407
Molecular FormulaC63H40N4O
Molecular Weight869.04 g/mol
Exact Mass868.32
IUPAC Name9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7cccc8c7oc7ccccc78)cc65)cc4-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C63H40N4O/c1-4-17-41(18-5-1)44-23-14-25-47(37-44)61-64-62(48-26-15-24-45(38-48)42-19-6-2-7-20-42)66-63(65-61)55-36-34-49(40-56(55)43-21-8-3-9-22-43)67-57-31-12-10-27-51(57)52-35-33-46(39-58(52)67)50-29-16-30-54-53-28-11-13-32-59(53)68-60(50)54/h1-40H
InChIKeyIPEJXFTWLTXXAD-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

2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165001120
2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163669259
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949
2-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 165033943
2-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 163662232
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 163961346
9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228295
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
2-[4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280137

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole (CID 164962407) is 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7cccc8c7oc7ccccc78)cc65)cc4-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole?
The InChIKey is IPEJXFTWLTXXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-17-41(18-5-1)44-23-14-25-47(37-44)61-64-62(48-26-15-24-45(38-48)42-19-6-2-7-20-42)66-63(65-61)55-36-34-49(40-56(55)43-21-8-3-9-22-43)67-57-31-12-10-27-51(57)52-35-33-46(39-58(52)67)50-29-16-30-54-53-28-11-13-32-59(53)68-60(50)54/h1-40H.
What are the key properties of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole?
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole 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 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 164962407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).