2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine

C29H35N — CID 135248210

IUPAC2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccccc1
InChIInChI=1S/C29H35N/c1-27(2,3)20-14-16-25-23(18-20)29(7,8)24-19-21(28(4,5)6)15-17-26(24)30(25)22-12-10-9-11-13-22/h9-19H,1-8H3
InChIKeyRXXLIXJPBPSXMZ-UHFFFAOYSA-N
MW397.61 g/mol
LogP8.39
Rot. Bonds1

About 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine

2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine (PubChem CID 135248210) has the molecular formula C29H35N and a molecular weight of 397.61 g/mol. Its IUPAC name is 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
PubChem CID135248210
Molecular FormulaC29H35N
Molecular Weight397.61 g/mol
Exact Mass397.28
IUPAC Name2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccccc1
InChIInChI=1S/C29H35N/c1-27(2,3)20-14-16-25-23(18-20)29(7,8)24-19-21(28(4,5)6)15-17-26(24)30(25)22-12-10-9-11-13-22/h9-19H,1-8H3
InChIKeyRXXLIXJPBPSXMZ-UHFFFAOYSA-N
XLogP8.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128
2,7-ditert-butyl-10-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-2-yl]-9,9-dimethylacridine
CID 58384126
ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
CID 145348376
5,17-ditert-butyl-11-(5,17-ditert-butyl-8,8,14,14-tetramethyl-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)-8,8,14,14-tetramethyl-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 90330294
9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine
CID 68542724
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
CID 154952703
2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
CID 144530914
3-tert-butyl-10-phenylphenothiazine
CID 134252291
24-tert-butyl-10,10-dimethyl-15,18,21-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene
CID 177082526
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
CID 166025201
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine (CID 135248210) is 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccccc1.
What is the InChIKey of 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine?
The InChIKey is RXXLIXJPBPSXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N/c1-27(2,3)20-14-16-25-23(18-20)29(7,8)24-19-21(28(4,5)6)15-17-26(24)30(25)22-12-10-9-11-13-22/h9-19H,1-8H3.
What are the key properties of 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine?
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine has a molecular weight of 397.61 g/mol, XLogP of 8.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 135248210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).