10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine

C49H31N3O3 — CID 137473462

IUPAC10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)oc3c2)cc1
InChIInChI=1S/C49H31N3O3/c1-3-15-32(16-4-1)34-29-38(33-17-5-2-6-18-33)48-47(30-34)55-49(50-48)35-27-36(51-39-19-7-11-23-43(39)53-44-24-12-8-20-40(44)51)31-37(28-35)52-41-21-9-13-25-45(41)54-46-26-14-10-22-42(46)52/h1-31H
InChIKeyXRCDHDPYMRLLBH-UHFFFAOYSA-N
MW709.81 g/mol
LogP13.98
Rot. Bonds5

About 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 137473462) has the molecular formula C49H31N3O3 and a molecular weight of 709.81 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID137473462
Molecular FormulaC49H31N3O3
Molecular Weight709.81 g/mol
Exact Mass709.24
IUPAC Name10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)oc3c2)cc1
InChIInChI=1S/C49H31N3O3/c1-3-15-32(16-4-1)34-29-38(33-17-5-2-6-18-33)48-47(30-34)55-49(50-48)35-27-36(51-39-19-7-11-23-43(39)53-44-24-12-8-20-40(44)51)31-37(28-35)52-41-21-9-13-25-45(41)54-46-26-14-10-22-42(46)52/h1-31H
InChIKeyXRCDHDPYMRLLBH-UHFFFAOYSA-N
XLogP13.98
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.81
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine with MolForge

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Related Compounds

2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473457
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
2-[3,4-di(carbazol-9-yl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473426
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
CID 139312569
10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
CID 58251220
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
CID 129291729

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (CID 137473462) is 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)c3nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)oc3c2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is XRCDHDPYMRLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O3/c1-3-15-32(16-4-1)34-29-38(33-17-5-2-6-18-33)48-47(30-34)55-49(50-48)35-27-36(51-39-19-7-11-23-43(39)53-44-24-12-8-20-40(44)51)31-37(28-35)52-41-21-9-13-25-45(41)54-46-26-14-10-22-42(46)52/h1-31H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 709.81 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 137473462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).