10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine

C39H51N3 — CID 138646131

IUPAC10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine
SMILESCC(C)CN1c2ccccc2N(C(C)(C)C)C2C=C(c3ccc4c(c3)N(C(C)(C)C)C3C=CC=CC3C4(C)C)C=CC21
InChIInChI=1S/C39H51N3/c1-26(2)25-40-32-17-13-14-18-34(32)42(38(6,7)8)36-24-28(20-22-33(36)40)27-19-21-30-35(23-27)41(37(3,4)5)31-16-12-11-15-29(31)39(30,9)10/h11-24,26,29,31,33,36H,25H2,1-10H3
InChIKeyGEAISVQEVQUDRN-UHFFFAOYSA-N
MW561.86 g/mol
LogP9.16
Rot. Bonds3

About 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine

10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine (PubChem CID 138646131) has the molecular formula C39H51N3 and a molecular weight of 561.86 g/mol. Its IUPAC name is 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine.

Molecular Properties

Compound Name10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine
PubChem CID138646131
Molecular FormulaC39H51N3
Molecular Weight561.86 g/mol
Exact Mass561.41
IUPAC Name10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine
SMILESCC(C)CN1c2ccccc2N(C(C)(C)C)C2C=C(c3ccc4c(c3)N(C(C)(C)C)C3C=CC=CC3C4(C)C)C=CC21
InChIInChI=1S/C39H51N3/c1-26(2)25-40-32-17-13-14-18-34(32)42(38(6,7)8)36-24-28(20-22-33(36)40)27-19-21-30-35(23-27)41(37(3,4)5)31-16-12-11-15-29(31)39(30,9)10/h11-24,26,29,31,33,36H,25H2,1-10H3
InChIKeyGEAISVQEVQUDRN-UHFFFAOYSA-N
XLogP9.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.86
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine?
The IUPAC name of 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine (CID 138646131) is 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine.
What is the SMILES notation for 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine?
The canonical SMILES for 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine is CC(C)CN1c2ccccc2N(C(C)(C)C)C2C=C(c3ccc4c(c3)N(C(C)(C)C)C3C=CC=CC3C4(C)C)C=CC21.
What is the InChIKey of 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine?
The InChIKey is GEAISVQEVQUDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51N3/c1-26(2)25-40-32-17-13-14-18-34(32)42(38(6,7)8)36-24-28(20-22-33(36)40)27-19-21-30-35(23-27)41(37(3,4)5)31-16-12-11-15-29(31)39(30,9)10/h11-24,26,29,31,33,36H,25H2,1-10H3.
What are the key properties of 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine?
10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine has a molecular weight of 561.86 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine is sourced from PubChem (CID 138646131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).