10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)

C119H116N6O6 — CID 158281316

IUPAC10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)
SMILESCCC(C)c1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.CCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccccc1
InChIInChI=1S/2C24H25NO.C21H19NO.C20H17NO.2C15H15NO/c1-5-18(4)19-8-10-20(11-9-19)25-21-12-6-16(2)14-23(21)26-24-15-17(3)7-13-22(24)25;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;1-14-4-8-17(9-5-14)22-18-10-6-15(2)12-20(18)23-21-13-16(3)7-11-19(21)22;1-14-8-10-17-19(12-14)22-20-13-15(2)9-11-18(20)21(17)16-6-4-3-5-7-16;2*1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h6-15,18H,5H2,1-4H3;7-16H,4-6H2,1-3H3;4-13H,1-3H3;3-13H,1-2H3;2*4-9H,1-3H3
InChIKeyGKFZRSRAMKZJJY-UHFFFAOYSA-N
MW1726.27 g/mol
LogP35.03
Rot. Bonds9

About 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)

10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine) (PubChem CID 158281316) has the molecular formula C119H116N6O6 and a molecular weight of 1726.27 g/mol. Its IUPAC name is 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine).

Molecular Properties

Compound Name10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)
PubChem CID158281316
Molecular FormulaC119H116N6O6
Molecular Weight1726.27 g/mol
Exact Mass1724.90
IUPAC Name10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)
SMILESCCC(C)c1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.CCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccccc1
InChIInChI=1S/2C24H25NO.C21H19NO.C20H17NO.2C15H15NO/c1-5-18(4)19-8-10-20(11-9-19)25-21-12-6-16(2)14-23(21)26-24-15-17(3)7-13-22(24)25;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;1-14-4-8-17(9-5-14)22-18-10-6-15(2)12-20(18)23-21-13-16(3)7-11-19(21)22;1-14-8-10-17-19(12-14)22-20-13-15(2)9-11-18(20)21(17)16-6-4-3-5-7-16;2*1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h6-15,18H,5H2,1-4H3;7-16H,4-6H2,1-3H3;4-13H,1-3H3;3-13H,1-2H3;2*4-9H,1-3H3
InChIKeyGKFZRSRAMKZJJY-UHFFFAOYSA-N
XLogP35.03
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.27
LogP ≤ 535.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine) with MolForge

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Related Compounds

1,4-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]butane
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1,3-Bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]propane
CID 23661594
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
7,7'-Bi[12-(trifluoromethyl)-5,9-dioxa-13b-aza-13bH-naphtho[3,2,1-de]anthracene]
CID 89981753
3,7-Bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine
CID 164665377
10-{[1,1'-biphenyl]-4-yl}-10H-phenoxazine
CID 71003880
7,7'-Bi[1,4]benzoxazino[2,3,4-kl]phenoxazine
CID 89981730
3,3'-Bi[1,4]benzoxazino[2,3,4-kl]phenoxazine
CID 89981752
11-(5,17-Dimethoxy-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-5,17-dimethoxy-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
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Frequently Asked Questions

What is the IUPAC name of 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)?
The IUPAC name of 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine) (CID 158281316) is 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine).
What is the SMILES notation for 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)?
The canonical SMILES for 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine) is CCC(C)c1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.CCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccccc1.
What is the InChIKey of 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)?
The InChIKey is GKFZRSRAMKZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25NO.C21H19NO.C20H17NO.2C15H15NO/c1-5-18(4)19-8-10-20(11-9-19)25-21-12-6-16(2)14-23(21)26-24-15-17(3)7-13-22(24)25;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;1-14-4-8-17(9-5-14)22-18-10-6-15(2)12-20(18)23-21-13-16(3)7-11-19(21)22;1-14-8-10-17-19(12-14)22-20-13-15(2)9-11-18(20)21(17)16-6-4-3-5-7-16;2*1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h6-15,18H,5H2,1-4H3;7-16H,4-6H2,1-3H3;4-13H,1-3H3;3-13H,1-2H3;2*4-9H,1-3H3.
What are the key properties of 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine)?
10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine) has a molecular weight of 1726.27 g/mol, XLogP of 35.03, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butan-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7-dimethyl-10-(4-methylphenyl)phenoxazine;3,7-dimethyl-10-phenylphenoxazine;bis(3,7,10-trimethylphenoxazine) is sourced from PubChem (CID 158281316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).