10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine

C30H45NO — CID 146475176

IUPAC10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine
SMILESCCC(C)(CC)c1ccc2c(c1)Oc1cc(C(C)(CC)CC)ccc1N2C(C)C(C)(C)C
InChIInChI=1S/C30H45NO/c1-11-29(9,12-2)22-15-17-24-26(19-22)32-27-20-23(30(10,13-3)14-4)16-18-25(27)31(24)21(5)28(6,7)8/h15-21H,11-14H2,1-10H3
InChIKeyCQQFFEKNVHSDNG-UHFFFAOYSA-N
MW435.70 g/mol
LogP9.52
Rot. Bonds7

About 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine

10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine (PubChem CID 146475176) has the molecular formula C30H45NO and a molecular weight of 435.70 g/mol. Its IUPAC name is 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine.

Molecular Properties

Compound Name10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine
PubChem CID146475176
Molecular FormulaC30H45NO
Molecular Weight435.70 g/mol
Exact Mass435.35
IUPAC Name10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine
SMILESCCC(C)(CC)c1ccc2c(c1)Oc1cc(C(C)(CC)CC)ccc1N2C(C)C(C)(C)C
InChIInChI=1S/C30H45NO/c1-11-29(9,12-2)22-15-17-24-26(19-22)32-27-20-23(30(10,13-3)14-4)16-18-25(27)31(24)21(5)28(6,7)8/h15-21H,11-14H2,1-10H3
InChIKeyCQQFFEKNVHSDNG-UHFFFAOYSA-N
XLogP9.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine?
The IUPAC name of 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine (CID 146475176) is 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine.
What is the SMILES notation for 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine?
The canonical SMILES for 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine is CCC(C)(CC)c1ccc2c(c1)Oc1cc(C(C)(CC)CC)ccc1N2C(C)C(C)(C)C.
What is the InChIKey of 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine?
The InChIKey is CQQFFEKNVHSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO/c1-11-29(9,12-2)22-15-17-24-26(19-22)32-27-20-23(30(10,13-3)14-4)16-18-25(27)31(24)21(5)28(6,7)8/h15-21H,11-14H2,1-10H3.
What are the key properties of 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine?
10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine has a molecular weight of 435.70 g/mol, XLogP of 9.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,3-dimethylbutan-2-yl)-3,7-bis(3-methylpentan-3-yl)phenoxazine is sourced from PubChem (CID 146475176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).