2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine

C48H29NO3 — CID 126612202

IUPAC2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(N3c4cc(-c5ccc6c(c5)oc5ccccc56)ccc4Oc4ccc(-c5ccc6c(c5)oc5ccccc56)cc43)cc2)cc1
InChIInChI=1S/C48H29NO3/c1-2-8-30(9-3-1)31-14-20-36(21-15-31)49-41-26-32(34-16-22-39-37-10-4-6-12-43(37)50-47(39)28-34)18-24-45(41)52-46-25-19-33(27-42(46)49)35-17-23-40-38-11-5-7-13-44(38)51-48(40)29-35/h1-29H
InChIKeyYVHJOMHEALJWGZ-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.06
Rot. Bonds4

About 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine

2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine (PubChem CID 126612202) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
PubChem CID126612202
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC Name2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(N3c4cc(-c5ccc6c(c5)oc5ccccc56)ccc4Oc4ccc(-c5ccc6c(c5)oc5ccccc56)cc43)cc2)cc1
InChIInChI=1S/C48H29NO3/c1-2-8-30(9-3-1)31-14-20-36(21-15-31)49-41-26-32(34-16-22-39-37-10-4-6-12-43(37)50-47(39)28-34)18-24-45(41)52-46-25-19-33(27-42(46)49)35-17-23-40-38-11-5-7-13-44(38)51-48(40)29-35/h1-29H
InChIKeyYVHJOMHEALJWGZ-UHFFFAOYSA-N
XLogP14.06
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.76
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
CID 167665630
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine
CID 154600142
8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
CID 121242285
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
10-phenyl-2,8-bis(6-phenyldibenzofuran-4-yl)phenoxazine
CID 126612218
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509

Frequently Asked Questions

What is the IUPAC name of 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine?
The IUPAC name of 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine (CID 126612202) is 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine.
What is the SMILES notation for 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine?
The canonical SMILES for 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine is c1ccc(-c2ccc(N3c4cc(-c5ccc6c(c5)oc5ccccc56)ccc4Oc4ccc(-c5ccc6c(c5)oc5ccccc56)cc43)cc2)cc1.
What is the InChIKey of 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine?
The InChIKey is YVHJOMHEALJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-2-8-30(9-3-1)31-14-20-36(21-15-31)49-41-26-32(34-16-22-39-37-10-4-6-12-43(37)50-47(39)28-34)18-24-45(41)52-46-25-19-33(27-42(46)49)35-17-23-40-38-11-5-7-13-44(38)51-48(40)29-35/h1-29H.
What are the key properties of 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine?
2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine has a molecular weight of 667.76 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine is sourced from PubChem (CID 126612202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).