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

C39H26N4O — CID 118528341

IUPAC10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C39H26N4O/c1-3-11-27(12-4-1)28-19-21-30(22-20-28)38-40-37(29-13-5-2-6-14-29)41-39(42-38)31-23-25-32(26-24-31)43-33-15-7-9-17-35(33)44-36-18-10-8-16-34(36)43/h1-26H
InChIKeyHBFLBEDKIAAXRX-UHFFFAOYSA-N
MW566.66 g/mol
LogP10.12
Rot. Bonds5

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

10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528341) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528341
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C39H26N4O/c1-3-11-27(12-4-1)28-19-21-30(22-20-28)38-40-37(29-13-5-2-6-14-29)41-39(42-38)31-23-25-32(26-24-31)43-33-15-7-9-17-35(33)44-36-18-10-8-16-34(36)43/h1-26H
InChIKeyHBFLBEDKIAAXRX-UHFFFAOYSA-N
XLogP10.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528341) is 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is HBFLBEDKIAAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-3-11-27(12-4-1)28-19-21-30(22-20-28)38-40-37(29-13-5-2-6-14-29)41-39(42-38)31-23-25-32(26-24-31)43-33-15-7-9-17-35(33)44-36-18-10-8-16-34(36)43/h1-26H.
What are the key properties of 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 566.66 g/mol, XLogP of 10.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).