10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine

C106H122N6O6 — CID 158847369

IUPAC10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
SMILESCCC(C)N1c2ccc(C)cc2Oc2cc(C)ccc21.CCCCCCN1c2ccc(C)cc2Oc2cc(C)ccc21.CCCCN1c2ccc(C)cc2Oc2cc(C)ccc21.CCN1c2ccc(C)cc2Oc2cc(C)ccc21.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2CCC(C)C
InChIInChI=1S/C20H25NO.C19H23NO.2C18H21NO.C16H17NO.C15H15NO/c1-4-5-6-7-12-21-17-10-8-15(2)13-19(17)22-20-14-16(3)9-11-18(20)21;1-13(2)9-10-20-16-7-5-14(3)11-18(16)21-19-12-15(4)6-8-17(19)20;1-5-14(4)19-15-8-6-12(2)10-17(15)20-18-11-13(3)7-9-16(18)19;1-4-5-10-19-15-8-6-13(2)11-17(15)20-18-12-14(3)7-9-16(18)19;1-4-17-13-7-5-11(2)9-15(13)18-16-10-12(3)6-8-14(16)17;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h8-11,13-14H,4-7,12H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;6-11,14H,5H2,1-4H3;6-9,11-12H,4-5,10H2,1-3H3;5-10H,4H2,1-3H3;4-9H,1-3H3
InChIKeyIYZRTRLICBQTCA-UHFFFAOYSA-N
MW1576.18 g/mol
LogP31.16
Rot. Bonds14

About 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine

10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine (PubChem CID 158847369) has the molecular formula C106H122N6O6 and a molecular weight of 1576.18 g/mol. Its IUPAC name is 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine.

Molecular Properties

Compound Name10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
PubChem CID158847369
Molecular FormulaC106H122N6O6
Molecular Weight1576.18 g/mol
Exact Mass1574.94
IUPAC Name10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
SMILESCCC(C)N1c2ccc(C)cc2Oc2cc(C)ccc21.CCCCCCN1c2ccc(C)cc2Oc2cc(C)ccc21.CCCCN1c2ccc(C)cc2Oc2cc(C)ccc21.CCN1c2ccc(C)cc2Oc2cc(C)ccc21.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2CCC(C)C
InChIInChI=1S/C20H25NO.C19H23NO.2C18H21NO.C16H17NO.C15H15NO/c1-4-5-6-7-12-21-17-10-8-15(2)13-19(17)22-20-14-16(3)9-11-18(20)21;1-13(2)9-10-20-16-7-5-14(3)11-18(16)21-19-12-15(4)6-8-17(19)20;1-5-14(4)19-15-8-6-12(2)10-17(15)20-18-11-13(3)7-9-16(18)19;1-4-5-10-19-15-8-6-13(2)11-17(15)20-18-12-14(3)7-9-16(18)19;1-4-17-13-7-5-11(2)9-15(13)18-16-10-12(3)6-8-14(16)17;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h8-11,13-14H,4-7,12H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;6-11,14H,5H2,1-4H3;6-9,11-12H,4-5,10H2,1-3H3;5-10H,4H2,1-3H3;4-9H,1-3H3
InChIKeyIYZRTRLICBQTCA-UHFFFAOYSA-N
XLogP31.16
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.18
LogP ≤ 531.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine 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

1,4-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]butane
CID 44437328
1-(2-Methoxyphenyl)-4-[2-[3-[2-[2-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]piperazine
CID 44437334
1,3-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]propane
CID 23661594
1,2-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]ethane
CID 44437327
1,5-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]pentane
CID 44437329
1,6-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]hexane
CID 44437330
1,8-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]octane
CID 44437331
1,10-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]decane
CID 44437332
1,12-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]dodecane
CID 44437333
5,13-Bis[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 118712428
10-[3-[(3S,5R)-4-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpiperazin-1-yl]propyl]phenoxazine
CID 137526868
7,7'-Bi[1,4]benzoxazino[2,3,4-kl]phenoxazine
CID 89981730

Frequently Asked Questions

What is the IUPAC name of 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
The IUPAC name of 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine (CID 158847369) is 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine.
What is the SMILES notation for 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
The canonical SMILES for 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine is CCC(C)N1c2ccc(C)cc2Oc2cc(C)ccc21.CCCCCCN1c2ccc(C)cc2Oc2cc(C)ccc21.CCCCN1c2ccc(C)cc2Oc2cc(C)ccc21.CCN1c2ccc(C)cc2Oc2cc(C)ccc21.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2CCC(C)C.
What is the InChIKey of 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
The InChIKey is IYZRTRLICBQTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.C19H23NO.2C18H21NO.C16H17NO.C15H15NO/c1-4-5-6-7-12-21-17-10-8-15(2)13-19(17)22-20-14-16(3)9-11-18(20)21;1-13(2)9-10-20-16-7-5-14(3)11-18(16)21-19-12-15(4)6-8-17(19)20;1-5-14(4)19-15-8-6-12(2)10-17(15)20-18-11-13(3)7-9-16(18)19;1-4-5-10-19-15-8-6-13(2)11-17(15)20-18-12-14(3)7-9-16(18)19;1-4-17-13-7-5-11(2)9-15(13)18-16-10-12(3)6-8-14(16)17;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h8-11,13-14H,4-7,12H2,1-3H3;5-8,11-13H,9-10H2,1-4H3;6-11,14H,5H2,1-4H3;6-9,11-12H,4-5,10H2,1-3H3;5-10H,4H2,1-3H3;4-9H,1-3H3.
What are the key properties of 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine has a molecular weight of 1576.18 g/mol, XLogP of 31.16, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butan-2-yl-3,7-dimethylphenoxazine;10-butyl-3,7-dimethylphenoxazine;3,7-dimethyl-10-(3-methylbutyl)phenoxazine;10-ethyl-3,7-dimethylphenoxazine;10-hexyl-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine is sourced from PubChem (CID 158847369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).