10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

C41H25N7O2 — CID 129290635

IUPAC10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1cnc(-c2cc(N3c4ccccc4Oc4ccccc43)c3cc(-c4ncncn4)cc(N4c5ccccc5Oc5ccccc54)c3c2)nc1
InChIInChI=1S/C41H25N7O2/c1-5-14-36-30(10-1)47(31-11-2-6-15-37(31)49-36)34-22-26(40-43-18-9-19-44-40)20-28-29(34)21-27(41-45-24-42-25-46-41)23-35(28)48-32-12-3-7-16-38(32)50-39-17-8-4-13-33(39)48/h1-25H
InChIKeyZCHHCKSNAJWSER-UHFFFAOYSA-N
MW647.70 g/mol
LogP10.30
Rot. Bonds4

About 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290635) has the molecular formula C41H25N7O2 and a molecular weight of 647.70 g/mol. Its IUPAC name is 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
PubChem CID129290635
Molecular FormulaC41H25N7O2
Molecular Weight647.70 g/mol
Exact Mass647.21
IUPAC Name10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1cnc(-c2cc(N3c4ccccc4Oc4ccccc43)c3cc(-c4ncncn4)cc(N4c5ccccc5Oc5ccccc54)c3c2)nc1
InChIInChI=1S/C41H25N7O2/c1-5-14-36-30(10-1)47(31-11-2-6-15-37(31)49-36)34-22-26(40-43-18-9-19-44-40)20-28-29(34)21-27(41-45-24-42-25-46-41)23-35(28)48-32-12-3-7-16-38(32)50-39-17-8-4-13-33(39)48/h1-25H
InChIKeyZCHHCKSNAJWSER-UHFFFAOYSA-N
XLogP10.30
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.70
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 129290635) is 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is c1cnc(-c2cc(N3c4ccccc4Oc4ccccc43)c3cc(-c4ncncn4)cc(N4c5ccccc5Oc5ccccc54)c3c2)nc1.
What is the InChIKey of 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is ZCHHCKSNAJWSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N7O2/c1-5-14-36-30(10-1)47(31-11-2-6-15-37(31)49-36)34-22-26(40-43-18-9-19-44-40)20-28-29(34)21-27(41-45-24-42-25-46-41)23-35(28)48-32-12-3-7-16-38(32)50-39-17-8-4-13-33(39)48/h1-25H.
What are the key properties of 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 647.70 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).