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

C52H33N5O — CID 176756303

IUPAC2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6nc(-c7ccccc7)oc56)c4)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)c2)cc1
InChIInChI=1S/C52H33N5O/c1-4-16-34(17-5-1)37-22-12-24-39(32-37)49-54-50(40-25-13-23-38(33-40)42-28-14-29-44-48(42)58-51(53-44)36-20-8-3-9-21-36)56-52(55-49)57-45-30-11-10-26-43(45)47-41(27-15-31-46(47)57)35-18-6-2-7-19-35/h1-33H
InChIKeyCUDZVPPAEGPZCE-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.11
Rot. Bonds7

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

2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 176756303) has the molecular formula C52H33N5O and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID176756303
Molecular FormulaC52H33N5O
Molecular Weight743.87 g/mol
Exact Mass743.27
IUPAC Name2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6nc(-c7ccccc7)oc56)c4)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)c2)cc1
InChIInChI=1S/C52H33N5O/c1-4-16-34(17-5-1)37-22-12-24-39(32-37)49-54-50(40-25-13-23-38(33-40)42-28-14-29-44-48(42)58-51(53-44)36-20-8-3-9-21-36)56-52(55-49)57-45-30-11-10-26-43(45)47-41(27-15-31-46(47)57)35-18-6-2-7-19-35/h1-33H
InChIKeyCUDZVPPAEGPZCE-UHFFFAOYSA-N
XLogP13.11
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole
CID 166583419
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 166952410
5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 129265397
9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 161421501

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 176756303) is 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6nc(-c7ccccc7)oc56)c4)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)c2)cc1.
What is the InChIKey of 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is CUDZVPPAEGPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O/c1-4-16-34(17-5-1)37-22-12-24-39(32-37)49-54-50(40-25-13-23-38(33-40)42-28-14-29-44-48(42)58-51(53-44)36-20-8-3-9-21-36)56-52(55-49)57-45-30-11-10-26-43(45)47-41(27-15-31-46(47)57)35-18-6-2-7-19-35/h1-33H.
What are the key properties of 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 743.87 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 176756303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).