10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine

C34H22N4O2 — CID 122433762

IUPAC10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)nc2)cn1
InChIInChI=1S/C34H22N4O2/c1-5-13-29-25(9-1)37(26-10-2-6-14-30(26)39-29)33-19-17-23(21-35-33)24-18-20-34(36-22-24)38-27-11-3-7-15-31(27)40-32-16-8-4-12-28(32)38/h1-22H
InChIKeyNWAGXPGOYXCVAJ-UHFFFAOYSA-N
MW518.58 g/mol
LogP9.29
Rot. Bonds3

About 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine

10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine (PubChem CID 122433762) has the molecular formula C34H22N4O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine
PubChem CID122433762
Molecular FormulaC34H22N4O2
Molecular Weight518.58 g/mol
Exact Mass518.17
IUPAC Name10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)nc2)cn1
InChIInChI=1S/C34H22N4O2/c1-5-13-29-25(9-1)37(26-10-2-6-14-30(26)39-29)33-19-17-23(21-35-33)24-18-20-34(36-22-24)38-27-11-3-7-15-31(27)40-32-16-8-4-12-28(32)38/h1-22H
InChIKeyNWAGXPGOYXCVAJ-UHFFFAOYSA-N
XLogP9.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine (CID 122433762) is 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)nc2)cn1.
What is the InChIKey of 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine?
The InChIKey is NWAGXPGOYXCVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O2/c1-5-13-29-25(9-1)37(26-10-2-6-14-30(26)39-29)33-19-17-23(21-35-33)24-18-20-34(36-22-24)38-27-11-3-7-15-31(27)40-32-16-8-4-12-28(32)38/h1-22H.
What are the key properties of 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine?
10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine has a molecular weight of 518.58 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(6-phenoxazin-10-yl-3-pyridinyl)-2-pyridinyl]phenoxazine is sourced from PubChem (CID 122433762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).