10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine

C50H34N2O3 — CID 139312041

IUPAC10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine
SMILESCc1cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)c2oc3c(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc(C)cc3c2c1
InChIInChI=1S/C50H34N2O3/c1-31-25-37(33-13-11-15-35(29-33)51-41-17-3-7-21-45(41)53-46-22-8-4-18-42(46)51)49-39(27-31)40-28-32(2)26-38(50(40)55-49)34-14-12-16-36(30-34)52-43-19-5-9-23-47(43)54-48-24-10-6-20-44(48)52/h3-30H,1-2H3
InChIKeyWWQGKILRXQMFJU-UHFFFAOYSA-N
MW710.83 g/mol
LogP14.69
Rot. Bonds4

About 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine

10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine (PubChem CID 139312041) has the molecular formula C50H34N2O3 and a molecular weight of 710.83 g/mol. Its IUPAC name is 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine
PubChem CID139312041
Molecular FormulaC50H34N2O3
Molecular Weight710.83 g/mol
Exact Mass710.26
IUPAC Name10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine
SMILESCc1cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)c2oc3c(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc(C)cc3c2c1
InChIInChI=1S/C50H34N2O3/c1-31-25-37(33-13-11-15-35(29-33)51-41-17-3-7-21-45(41)53-46-22-8-4-18-42(46)51)49-39(27-31)40-28-32(2)26-38(50(40)55-49)34-14-12-16-36(30-34)52-43-19-5-9-23-47(43)54-48-24-10-6-20-44(48)52/h3-30H,1-2H3
InChIKeyWWQGKILRXQMFJU-UHFFFAOYSA-N
XLogP14.69
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.83
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine with MolForge

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Related Compounds

10-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenoxazine
CID 165060457
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-phenyl-2,8-bis(6-phenyldibenzofuran-4-yl)phenoxazine
CID 126612218
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
ethane;10-phenylphenoxazine
CID 123756019
2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
CID 130395524
10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
CID 139312065
10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
CID 130354404
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703

Frequently Asked Questions

What is the IUPAC name of 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine (CID 139312041) is 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine is Cc1cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)c2oc3c(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc(C)cc3c2c1.
What is the InChIKey of 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine?
The InChIKey is WWQGKILRXQMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O3/c1-31-25-37(33-13-11-15-35(29-33)51-41-17-3-7-21-45(41)53-46-22-8-4-18-42(46)51)49-39(27-31)40-28-32(2)26-38(50(40)55-49)34-14-12-16-36(30-34)52-43-19-5-9-23-47(43)54-48-24-10-6-20-44(48)52/h3-30H,1-2H3.
What are the key properties of 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine?
10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine has a molecular weight of 710.83 g/mol, XLogP of 14.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine is sourced from PubChem (CID 139312041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).