7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole

C58H35N5O2 — CID 176756221

IUPAC7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4cccc(-c5nc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)nc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)n5)c4)c3o2)cc1
InChIInChI=1S/C58H35N5O2/c1-3-16-36(17-4-1)42-26-15-32-50-52(42)47-25-7-9-31-49(47)63(50)58-61-55(40-22-11-20-38(34-40)43-27-13-29-46-45-24-8-10-33-51(45)64-53(43)46)60-56(62-58)41-23-12-21-39(35-41)44-28-14-30-48-54(44)65-57(59-48)37-18-5-2-6-19-37/h1-35H
InChIKeyCVPHNBZGXFQLQI-UHFFFAOYSA-N
MW833.95 g/mol
LogP15.01
Rot. Bonds7

About 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole

7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 176756221) has the molecular formula C58H35N5O2 and a molecular weight of 833.95 g/mol. Its IUPAC name is 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID176756221
Molecular FormulaC58H35N5O2
Molecular Weight833.95 g/mol
Exact Mass833.28
IUPAC Name7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4cccc(-c5nc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)nc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)n5)c4)c3o2)cc1
InChIInChI=1S/C58H35N5O2/c1-3-16-36(17-4-1)42-26-15-32-50-52(42)47-25-7-9-31-49(47)63(50)58-61-55(40-22-11-20-38(34-40)43-27-13-29-46-45-24-8-10-33-51(45)64-53(43)46)60-56(62-58)41-23-12-21-39(35-41)44-28-14-30-48-54(44)65-57(59-48)37-18-5-2-6-19-37/h1-35H
InChIKeyCVPHNBZGXFQLQI-UHFFFAOYSA-N
XLogP15.01
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.95
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176756303
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 159052403
[3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176837812
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
2-phenyl-7-[4-[3-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170681673
7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756182
7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 166583497
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 166952410

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole (CID 176756221) is 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4cccc(-c5nc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)nc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)n5)c4)c3o2)cc1.
What is the InChIKey of 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is CVPHNBZGXFQLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5O2/c1-3-16-36(17-4-1)42-26-15-32-50-52(42)47-25-7-9-31-49(47)63(50)58-61-55(40-22-11-20-38(34-40)43-27-13-29-46-45-24-8-10-33-51(45)64-53(43)46)60-56(62-58)41-23-12-21-39(35-41)44-28-14-30-48-54(44)65-57(59-48)37-18-5-2-6-19-37/h1-35H.
What are the key properties of 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 833.95 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 176756221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).