3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine

C84H104N4O4 — CID 158637370

IUPAC3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine
SMILESC.CC(C)Cc1cccc2c1Oc1cccc(CC(C)C)c1N2C.CN1c2ccc(C(C)(C)C)cc2Oc2cc(C(C)(C)C)ccc21.CN1c2ccccc2Oc2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)Oc1cc(C34CC5CC(CC(C5)C3)C4)ccc1N2C
InChIInChI=1S/C24H27NO.2C21H27NO.C17H19NO.CH4/c1-15-3-5-20-22(7-15)26-23-11-19(4-6-21(23)25(20)2)24-12-16-8-17(13-24)10-18(9-16)14-24;1-20(2,3)14-8-10-16-18(12-14)23-19-13-15(21(4,5)6)9-11-17(19)22(16)7;1-14(2)12-16-8-7-11-19-20(16)22(5)18-10-6-9-17(13-15(3)4)21(18)23-19;1-17(2,3)12-9-10-14-16(11-12)19-15-8-6-5-7-13(15)18(14)4;/h3-7,11,16-18H,8-10,12-14H2,1-2H3;8-13H,1-7H3;6-11,14-15H,12-13H2,1-5H3;5-11H,1-4H3;1H4
InChIKeyHZXZLNQTPJVYLB-UHFFFAOYSA-N
MW1233.78 g/mol
LogP23.94
Rot. Bonds5

About 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine

3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine (PubChem CID 158637370) has the molecular formula C84H104N4O4 and a molecular weight of 1233.78 g/mol. Its IUPAC name is 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine.

Molecular Properties

Compound Name3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine
PubChem CID158637370
Molecular FormulaC84H104N4O4
Molecular Weight1233.78 g/mol
Exact Mass1232.81
IUPAC Name3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine
SMILESC.CC(C)Cc1cccc2c1Oc1cccc(CC(C)C)c1N2C.CN1c2ccc(C(C)(C)C)cc2Oc2cc(C(C)(C)C)ccc21.CN1c2ccccc2Oc2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)Oc1cc(C34CC5CC(CC(C5)C3)C4)ccc1N2C
InChIInChI=1S/C24H27NO.2C21H27NO.C17H19NO.CH4/c1-15-3-5-20-22(7-15)26-23-11-19(4-6-21(23)25(20)2)24-12-16-8-17(13-24)10-18(9-16)14-24;1-20(2,3)14-8-10-16-18(12-14)23-19-13-15(21(4,5)6)9-11-17(19)22(16)7;1-14(2)12-16-8-7-11-19-20(16)22(5)18-10-6-9-17(13-15(3)4)21(18)23-19;1-17(2,3)12-9-10-14-16(11-12)19-15-8-6-5-7-13(15)18(14)4;/h3-7,11,16-18H,8-10,12-14H2,1-2H3;8-13H,1-7H3;6-11,14-15H,12-13H2,1-5H3;5-11H,1-4H3;1H4
InChIKeyHZXZLNQTPJVYLB-UHFFFAOYSA-N
XLogP23.94
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.78
LogP ≤ 523.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine with MolForge

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Related Compounds

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
CID 89983626
3,7-Di([1,1'-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine
CID 129057445
4-Methyl-17-[18-(trifluoromethyl)-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-5-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 89981761
4-[[2,7-Di(propan-2-yl)phenoxazin-10-yl]methyl]-2,7-di(propan-2-yl)-10-(2,2,2-trifluoroethyl)phenoxazine
CID 134421919
4-[(7-Ethyl-2-propan-2-ylphenoxazin-10-yl)methyl]-2,7-di(propan-2-yl)-10-(2,2,2-trifluoroethyl)phenoxazine
CID 134421961
11-Fluoro-5-(11-fluoro-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552119
5-[3-(8,14-Dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-11-fluoro-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552125
10-[2,4-Bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine
CID 139552900
10-[2-Tert-butyl-4,6-bis(3-fluorophenyl)-3-phenoxazin-10-ylphenyl]phenoxazine
CID 139552906
10-[3-Tert-butyl-2,4-bis(3-fluorophenyl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 139552908

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine?
The IUPAC name of 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine (CID 158637370) is 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine.
What is the SMILES notation for 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine?
The canonical SMILES for 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine is C.CC(C)Cc1cccc2c1Oc1cccc(CC(C)C)c1N2C.CN1c2ccc(C(C)(C)C)cc2Oc2cc(C(C)(C)C)ccc21.CN1c2ccccc2Oc2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)Oc1cc(C34CC5CC(CC(C5)C3)C4)ccc1N2C.
What is the InChIKey of 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine?
The InChIKey is HZXZLNQTPJVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO.2C21H27NO.C17H19NO.CH4/c1-15-3-5-20-22(7-15)26-23-11-19(4-6-21(23)25(20)2)24-12-16-8-17(13-24)10-18(9-16)14-24;1-20(2,3)14-8-10-16-18(12-14)23-19-13-15(21(4,5)6)9-11-17(19)22(16)7;1-14(2)12-16-8-7-11-19-20(16)22(5)18-10-6-9-17(13-15(3)4)21(18)23-19;1-17(2,3)12-9-10-14-16(11-12)19-15-8-6-5-7-13(15)18(14)4;/h3-7,11,16-18H,8-10,12-14H2,1-2H3;8-13H,1-7H3;6-11,14-15H,12-13H2,1-5H3;5-11H,1-4H3;1H4.
What are the key properties of 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine?
3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine has a molecular weight of 1233.78 g/mol, XLogP of 23.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-7,10-dimethylphenoxazine;3-tert-butyl-10-methylphenoxazine;3,7-ditert-butyl-10-methylphenoxazine;methane;10-methyl-1,6-bis(2-methylpropyl)phenoxazine is sourced from PubChem (CID 158637370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).