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

C64H41N5O — CID 170681673

IUPAC2-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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc(-c7cccc8nc(-c9ccccc9)oc78)cc6)c5)c4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H41N5O/c1-4-16-42(17-5-1)43-34-38-46(39-35-43)61-66-62(68-63(67-61)55-28-15-31-58-59(55)54-26-10-11-30-57(54)69(58)52-24-8-3-9-25-52)51-23-13-22-50(41-51)49-21-12-20-48(40-49)44-32-36-45(37-33-44)53-27-14-29-56-60(53)70-64(65-56)47-18-6-2-7-19-47/h1-41H
InChIKeyXIVFEFGJEBIARV-UHFFFAOYSA-N
MW896.07 g/mol
LogP16.45
Rot. Bonds9

About 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

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 (PubChem CID 170681673) has the molecular formula C64H41N5O and a molecular weight of 896.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID170681673
Molecular FormulaC64H41N5O
Molecular Weight896.07 g/mol
Exact Mass895.33
IUPAC Name2-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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc(-c7cccc8nc(-c9ccccc9)oc78)cc6)c5)c4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H41N5O/c1-4-16-42(17-5-1)43-34-38-46(39-35-43)61-66-62(68-63(67-61)55-28-15-31-58-59(55)54-26-10-11-30-57(54)69(58)52-24-8-3-9-25-52)51-23-13-22-50(41-51)49-21-12-20-48(40-49)44-32-36-45(37-33-44)53-27-14-29-56-60(53)70-64(65-56)47-18-6-2-7-19-47/h1-41H
InChIKeyXIVFEFGJEBIARV-UHFFFAOYSA-N
XLogP16.45
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.07
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 170681615
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
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
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764453

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc(-c7cccc8nc(-c9ccccc9)oc78)cc6)c5)c4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is XIVFEFGJEBIARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5O/c1-4-16-42(17-5-1)43-34-38-46(39-35-43)61-66-62(68-63(67-61)55-28-15-31-58-59(55)54-26-10-11-30-57(54)69(58)52-24-8-3-9-25-52)51-23-13-22-50(41-51)49-21-12-20-48(40-49)44-32-36-45(37-33-44)53-27-14-29-56-60(53)70-64(65-56)47-18-6-2-7-19-47/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 896.07 g/mol, XLogP of 16.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170681673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).