10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine

C33H22N4O — CID 139052252

IUPAC10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C33H22N4O/c1-3-13-32-30(11-1)37(31-12-2-4-14-33(31)38-32)25-17-15-23(16-18-25)24-21-28(26-9-5-7-19-34-26)36-29(22-24)27-10-6-8-20-35-27/h1-22H
InChIKeyCMFHVEVFJWUQSU-UHFFFAOYSA-N
MW490.57 g/mol
LogP8.45
Rot. Bonds4

About 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine

10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine (PubChem CID 139052252) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine
PubChem CID139052252
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C33H22N4O/c1-3-13-32-30(11-1)37(31-12-2-4-14-33(31)38-32)25-17-15-23(16-18-25)24-21-28(26-9-5-7-19-34-26)36-29(22-24)27-10-6-8-20-35-27/h1-22H
InChIKeyCMFHVEVFJWUQSU-UHFFFAOYSA-N
XLogP8.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532544
7-[3-(piperidin-1-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532546
2,4-dipyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377306
4-[4-(4-Prop-2-enoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73345798
4-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73353356
N-[2-[6-(quinolin-4-ylamino)hexoxy]phenyl]acridin-9-amine;hydrate;hydrochloride
CID 90680014
N-[2-[8-(quinolin-4-ylamino)octoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680016
6-[4-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-1-yl]isoquinoline
CID 122180571
2-[[4-[5-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196339
4-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 50939340
8-[3-(4-Benzylpiperazin-1-yl)propoxy]quinoline
CID 45269549

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine (CID 139052252) is 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine is c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
The InChIKey is CMFHVEVFJWUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c1-3-13-32-30(11-1)37(31-12-2-4-14-33(31)38-32)25-17-15-23(16-18-25)24-21-28(26-9-5-7-19-34-26)36-29(22-24)27-10-6-8-20-35-27/h1-22H.
What are the key properties of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine has a molecular weight of 490.57 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine is sourced from PubChem (CID 139052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).