2-isoquinolin-5-yl-10-phenylphenoxazine

C27H18N2O — CID 122435685

IUPAC2-isoquinolin-5-yl-10-phenylphenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4cccc5cnccc45)cc32)cc1
InChIInChI=1S/C27H18N2O/c1-2-8-21(9-3-1)29-24-11-4-5-12-26(24)30-27-14-13-19(17-25(27)29)22-10-6-7-20-18-28-16-15-23(20)22/h1-18H
InChIKeyQWGIFGIHFULCGX-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.48
Rot. Bonds2

About 2-isoquinolin-5-yl-10-phenylphenoxazine

2-isoquinolin-5-yl-10-phenylphenoxazine (PubChem CID 122435685) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-10-phenylphenoxazine.

Molecular Properties

Compound Name2-isoquinolin-5-yl-10-phenylphenoxazine
PubChem CID122435685
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name2-isoquinolin-5-yl-10-phenylphenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4cccc5cnccc45)cc32)cc1
InChIInChI=1S/C27H18N2O/c1-2-8-21(9-3-1)29-24-11-4-5-12-26(24)30-27-14-13-19(17-25(27)29)22-10-6-7-20-18-28-16-15-23(20)22/h1-18H
InChIKeyQWGIFGIHFULCGX-UHFFFAOYSA-N
XLogP7.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-2,8-bis(6-phenyldibenzofuran-4-yl)phenoxazine
CID 126612218
5-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline
CID 146547237
5-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]isoquinoline
CID 146547947
7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
CID 134527326
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine
CID 167214852
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine
CID 159303566
10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-10-phenylphenoxazine?
The IUPAC name of 2-isoquinolin-5-yl-10-phenylphenoxazine (CID 122435685) is 2-isoquinolin-5-yl-10-phenylphenoxazine.
What is the SMILES notation for 2-isoquinolin-5-yl-10-phenylphenoxazine?
The canonical SMILES for 2-isoquinolin-5-yl-10-phenylphenoxazine is c1ccc(N2c3ccccc3Oc3ccc(-c4cccc5cnccc45)cc32)cc1.
What is the InChIKey of 2-isoquinolin-5-yl-10-phenylphenoxazine?
The InChIKey is QWGIFGIHFULCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-2-8-21(9-3-1)29-24-11-4-5-12-26(24)30-27-14-13-19(17-25(27)29)22-10-6-7-20-18-28-16-15-23(20)22/h1-18H.
What are the key properties of 2-isoquinolin-5-yl-10-phenylphenoxazine?
2-isoquinolin-5-yl-10-phenylphenoxazine has a molecular weight of 386.45 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-10-phenylphenoxazine is sourced from PubChem (CID 122435685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).