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

C52H33N5O — CID 170681528

IUPAC2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C52H33N5O/c1-5-15-34(16-6-1)44-31-38(25-28-41(44)37-27-30-48-45(32-37)53-52(58-48)36-19-9-3-10-20-36)50-54-49(35-17-7-2-8-18-35)55-51(56-50)39-26-29-43-42-23-13-14-24-46(42)57(47(43)33-39)40-21-11-4-12-22-40/h1-33H
InChIKeyOUKDDDMBNLQVFY-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.11
Rot. Bonds7

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

2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 170681528) has the molecular formula C52H33N5O and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID170681528
Molecular FormulaC52H33N5O
Molecular Weight743.87 g/mol
Exact Mass743.27
IUPAC Name2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C52H33N5O/c1-5-15-34(16-6-1)44-31-38(25-28-41(44)37-27-30-48-45(32-37)53-52(58-48)36-19-9-3-10-20-36)50-54-49(35-17-7-2-8-18-35)55-51(56-50)39-26-29-43-42-23-13-14-24-46(42)57(47(43)33-39)40-21-11-4-12-22-40/h1-33H
InChIKeyOUKDDDMBNLQVFY-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

2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
3-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153459949
2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648358
2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661248
2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 170681615
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 58511274

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 170681528) is 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is OUKDDDMBNLQVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O/c1-5-15-34(16-6-1)44-31-38(25-28-41(44)37-27-30-48-45(32-37)53-52(58-48)36-19-9-3-10-20-36)50-54-49(35-17-7-2-8-18-35)55-51(56-50)39-26-29-43-42-23-13-14-24-46(42)57(47(43)33-39)40-21-11-4-12-22-40/h1-33H.
What are the key properties of 2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-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-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 170681528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).