10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine

C57H37N5O2 — CID 118528384

IUPAC10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C57H37N5O2/c1-3-15-38(16-4-1)40-27-31-42(32-28-40)55-58-56(43-33-29-41(30-34-43)39-17-5-2-6-18-39)60-57(59-55)44-35-45(61-47-19-7-11-23-51(47)63-52-24-12-8-20-48(52)61)37-46(36-44)62-49-21-9-13-25-53(49)64-54-26-14-10-22-50(54)62/h1-37H
InChIKeyWDBLZYMYFCLTPT-UHFFFAOYSA-N
MW823.96 g/mol
LogP15.36
Rot. Bonds7

About 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 118528384) has the molecular formula C57H37N5O2 and a molecular weight of 823.96 g/mol. Its IUPAC name is 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID118528384
Molecular FormulaC57H37N5O2
Molecular Weight823.96 g/mol
Exact Mass823.29
IUPAC Name10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C57H37N5O2/c1-3-15-38(16-4-1)40-27-31-42(32-28-40)55-58-56(43-33-29-41(30-34-43)39-17-5-2-6-18-39)60-57(59-55)44-35-45(61-47-19-7-11-23-51(47)63-52-24-12-8-20-48(52)61)37-46(36-44)62-49-21-9-13-25-53(49)64-54-26-14-10-22-50(54)62/h1-37H
InChIKeyWDBLZYMYFCLTPT-UHFFFAOYSA-N
XLogP15.36
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.96
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine (CID 118528384) is 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is WDBLZYMYFCLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5O2/c1-3-15-38(16-4-1)40-27-31-42(32-28-40)55-58-56(43-33-29-41(30-34-43)39-17-5-2-6-18-39)60-57(59-55)44-35-45(61-47-19-7-11-23-51(47)63-52-24-12-8-20-48(52)61)37-46(36-44)62-49-21-9-13-25-53(49)64-54-26-14-10-22-50(54)62/h1-37H.
What are the key properties of 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 823.96 g/mol, XLogP of 15.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 118528384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).