2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline

C37H63GaN2 — CID 16690033

IUPAC2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline
SMILESC[Ga](Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/2C18H30N.CH3.Ga/c2*1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;;/h2*10-11,19H,1-9H3;1H3;/q2*-1;;+2
InChIKeyARIQYJYIYFORSQ-UHFFFAOYSA-N
MW605.65 g/mol
LogP11.11
Rot. Bonds4

About 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline

2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline (PubChem CID 16690033) has the molecular formula C37H63GaN2 and a molecular weight of 605.65 g/mol. Its IUPAC name is 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline.

Molecular Properties

Compound Name2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline
PubChem CID16690033
Molecular FormulaC37H63GaN2
Molecular Weight605.65 g/mol
Exact Mass604.42
IUPAC Name2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline
SMILESC[Ga](Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/2C18H30N.CH3.Ga/c2*1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;;/h2*10-11,19H,1-9H3;1H3;/q2*-1;;+2
InChIKeyARIQYJYIYFORSQ-UHFFFAOYSA-N
XLogP11.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.65
LogP ≤ 511.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-bis(2,4,6-tritert-butylanilino)gallanyl-2,4,6-tritert-butylaniline
CID 16709454
1,2,3,5-tetratert-butylbenzene
CID 18679123
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide
CID 12858544
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
CID 15962849
CID 15962849
ditert-butyl-(2,4,6-tritert-butylphenyl)borane
CID 164988762
2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)-N-(2-iodophenyl)aniline
CID 176782776
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
CID 174137288
CID 174137288

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline?
The IUPAC name of 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline (CID 16690033) is 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline.
What is the SMILES notation for 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline?
The canonical SMILES for 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline is C[Ga](Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline?
The InChIKey is ARIQYJYIYFORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H30N.CH3.Ga/c2*1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;;/h2*10-11,19H,1-9H3;1H3;/q2*-1;;+2.
What are the key properties of 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline?
2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline has a molecular weight of 605.65 g/mol, XLogP of 11.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tritert-butyl-N-[methyl-(2,4,6-tritert-butylanilino)gallanyl]aniline is sourced from PubChem (CID 16690033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).