10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine

C72H66N2O2 — CID 123712674

IUPAC10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
SMILESCCCCCc1ccc(-c2cc(-c3ccc(CCCCC)cc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc1
InChIInChI=1S/C40H41NO.C32H25NO/c1-3-5-7-13-30-19-23-32(24-20-30)34-27-35(33-25-21-31(22-26-33)14-8-6-4-2)29-36(28-34)41-37-15-9-11-17-39(37)42-40-18-12-10-16-38(40)41;1-22-11-15-24(16-12-22)26-19-27(25-17-13-23(2)14-18-25)21-28(20-26)33-29-7-3-5-9-31(29)34-32-10-6-4-8-30(32)33/h9-12,15-29H,3-8,13-14H2,1-2H3;3-21H,1-2H3
InChIKeyXOQVUDGIYLWLFL-UHFFFAOYSA-N
MW991.33 g/mol
LogP21.27
Rot. Bonds14

About 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine

10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine (PubChem CID 123712674) has the molecular formula C72H66N2O2 and a molecular weight of 991.33 g/mol. Its IUPAC name is 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
PubChem CID123712674
Molecular FormulaC72H66N2O2
Molecular Weight991.33 g/mol
Exact Mass990.51
IUPAC Name10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
SMILESCCCCCc1ccc(-c2cc(-c3ccc(CCCCC)cc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc1
InChIInChI=1S/C40H41NO.C32H25NO/c1-3-5-7-13-30-19-23-32(24-20-30)34-27-35(33-25-21-31(22-26-33)14-8-6-4-2)29-36(28-34)41-37-15-9-11-17-39(37)42-40-18-12-10-16-38(40)41;1-22-11-15-24(16-12-22)26-19-27(25-17-13-23(2)14-18-25)21-28(20-26)33-29-7-3-5-9-31(29)34-32-10-6-4-8-30(32)33/h9-12,15-29H,3-8,13-14H2,1-2H3;3-21H,1-2H3
InChIKeyXOQVUDGIYLWLFL-UHFFFAOYSA-N
XLogP21.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.33
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3,5-bis[3,5-bis(4-pentylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine
CID 122546405
10-[3,5-bis(3-butyl-5-methylphenyl)phenyl]phenoxazine
CID 58251245
10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
CID 58251251
10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
CID 162159096
10-[3,5-bis[3,5-bis(6-butylpyridazin-3-yl)phenyl]phenyl]phenoxazine
CID 58251250
10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine
CID 58251166
10-(3-hexylphenyl)-3,7-dimethylphenoxazine
CID 140565835
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
CID 159248075
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-hexyl-4-methylbenzene;toluene
CID 173071388

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine (CID 123712674) is 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine is CCCCCc1ccc(-c2cc(-c3ccc(CCCCC)cc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc1.
What is the InChIKey of 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine?
The InChIKey is XOQVUDGIYLWLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41NO.C32H25NO/c1-3-5-7-13-30-19-23-32(24-20-30)34-27-35(33-25-21-31(22-26-33)14-8-6-4-2)29-36(28-34)41-37-15-9-11-17-39(37)42-40-18-12-10-16-38(40)41;1-22-11-15-24(16-12-22)26-19-27(25-17-13-23(2)14-18-25)21-28(20-26)33-29-7-3-5-9-31(29)34-32-10-6-4-8-30(32)33/h9-12,15-29H,3-8,13-14H2,1-2H3;3-21H,1-2H3.
What are the key properties of 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine?
10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine has a molecular weight of 991.33 g/mol, XLogP of 21.27, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 123712674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).